<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>0035-001X</journal-id>
<journal-title><![CDATA[Revista mexicana de física]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. mex. fis.]]></abbrev-journal-title>
<issn>0035-001X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Mexicana de Física]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0035-001X2022000600013</article-id>
<article-id pub-id-type="doi">10.31349/revmexfis.68.061004</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Half-metallic and thermodynamic properties of new d0 CsCaZ (Z= Ge, Sn and Pb) half Heusler alloys: A spin-based devices vision for the future]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Bendahma]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Mana]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Hammou]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Terkhi]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Benderdouche]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Bentata]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Abdelhamid Ibn Badis University Laboratory of Technology and Solid Properties ]]></institution>
<addr-line><![CDATA[Mostaganem ]]></addr-line>
<country>Algeria</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Abdelhamid Ibn Badis University  ]]></institution>
<addr-line><![CDATA[Mostaganem ]]></addr-line>
<country>Algeria</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Abdelhamid Ibn Badis University Laboratory of Structure, Development and Application of Molecular Materials ]]></institution>
<addr-line><![CDATA[Mostaganem ]]></addr-line>
<country>Algeria</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Mascara University Faculty of Sciences and Technology Head of LPQ3M-Laboratory]]></institution>
<addr-line><![CDATA[Mascara ]]></addr-line>
<country>Algeria</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2022</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2022</year>
</pub-date>
<volume>68</volume>
<numero>6</numero>
<fpage>0</fpage>
<lpage>0</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2022000600013&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2022000600013&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2022000600013&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Density functional theory (DFT) was applied to investigate the structural, electronic, elastic, magnetic, thermodynamic and half-metallic properties of the newly d0 Heusler alloys (HAs) CsCaZ (Z= Ge, Sn and Pb).Spin-polarised calculations show that the compounds studied are half-metallic with a magnetic moment of 1.00 j Bat the equilibrium lattice parameter, which obeys the well-known Slater-Pauling rule Mtot = 8 - Zt. The half-metallic behavior of the compounds CsCaGe, CsCaSn and CsCaPb is predicted with respect to the equilibrium lattice constants for CsCaGe, CsCaSn and CsCaPb with a narrow band gap in the majority spin channel. Furthermore, the elastic constants (Cij) showed that these materials are ductile and anisotropic. In addition, the negative values of the calculated formation energy and cohesion energy indicate that CsCaZ (Z= Ge, Sn and Pb) are likely to be experimentally synthesized. Non-equilibrium Gibbs function is employed to calculate the thermodynamic properties through the quasi-harmonic Debye model in which the bulk modulus, heat capacity, Debye temperature, thermal expansion coefficient, and entropy are investigated at 0-20 Gpa pressure and 0-1200 K temperature ranges. The significant half-metallic behavior makes the CsCaZ (Z= Ge, Sn and Pb) compounds strong candidates for spintronic applications.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[d0 half Heusler]]></kwd>
<kwd lng="en"><![CDATA[DFT calculations]]></kwd>
<kwd lng="en"><![CDATA[half-metallicity]]></kwd>
<kwd lng="en"><![CDATA[thermodynamic properties]]></kwd>
<kwd lng="en"><![CDATA[spintronic applications]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>1</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Baibich]]></surname>
<given-names><![CDATA[M. N.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Giant Magnetoresistance of (001) Fe/(001) Cr Magnetic Superlattices]]></article-title>
<source><![CDATA[Phys. Rev. Lett.]]></source>
<year>1988</year>
<volume>61</volume>
<page-range>2472</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>2</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Fert]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Griinberg]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Barthelemy]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Petroff]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Zinn]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Layered magnetic structures : interlayer exchange coupling and giant magnetoresistance]]></article-title>
<source><![CDATA[J. Magn. Magn Mater.]]></source>
<year>1995</year>
<volume>140-144</volume>
<page-range>1</page-range></nlm-citation>
</ref>
<ref id="B3">
<label>3</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Inomata]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Highly spin-polarized materials and devices for spintronics]]></article-title>
<source><![CDATA[Sci. Technol. Adv. Mater.]]></source>
<year>2008</year>
<volume>9</volume>
</nlm-citation>
</ref>
<ref id="B4">
<label>4</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wolf]]></surname>
<given-names><![CDATA[S. A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Spintronics: A Spin-Based Electronics Vision for the Future]]></article-title>
<source><![CDATA[Science]]></source>
<year>2001</year>
<volume>294</volume>
<page-range>1488</page-range></nlm-citation>
</ref>
<ref id="B5">
<label>5</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kasai Ikhtiar]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Itoh]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Takahashi]]></surname>
<given-names><![CDATA[Y. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Ohkubo]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Mitani]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Hono]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Magneto-transport and microstructure of Co2Fe(Ga0.5Ge0.5)/Cu lateral spin valves prepared by top-down microfabrication process]]></article-title>
<source><![CDATA[J. Appl. Phys.]]></source>
<year>2014</year>
<volume>115</volume>
</nlm-citation>
</ref>
<ref id="B6">
<label>6</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Farshchi]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Ramsteiner]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Spin injection from Heusler alloys into semiconductors: A materials perspective]]></article-title>
<source><![CDATA[J. Appl. Phys.]]></source>
<year>2013</year>
<volume>113</volume>
</nlm-citation>
</ref>
<ref id="B7">
<label>7</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kimura]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Hashimoto]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<name>
<surname><![CDATA[Yamada]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Miyao]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Hamaya]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Room-temperature generation of giant pure spin currents using epitaxial Co2FeSi spin injectors]]></article-title>
<source><![CDATA[NPG Asia Mater.]]></source>
<year>2012</year>
<volume>4</volume>
<page-range>9</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>8</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Xie]]></surname>
<given-names><![CDATA[W.-H.]]></given-names>
</name>
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[B.-G.]]></given-names>
</name>
<name>
<surname><![CDATA[Pettifor]]></surname>
<given-names><![CDATA[D.G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Half-metallic ferromagnetism in transition metal pnictides and chalcogenides with wurtzite structure]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2003</year>
<volume>68</volume>
</nlm-citation>
</ref>
<ref id="B9">
<label>9</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Pask]]></surname>
<given-names><![CDATA[J. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[L. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Fong]]></surname>
<given-names><![CDATA[C. Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Pickett]]></surname>
<given-names><![CDATA[W.E.]]></given-names>
</name>
<name>
<surname><![CDATA[Dag]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Six low-strain zinc-blende half metals: An ab initio investigation]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2003</year>
<volume>67</volume>
</nlm-citation>
</ref>
<ref id="B10">
<label>10</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wu]]></surname>
<given-names><![CDATA[R. Q.]]></given-names>
</name>
<name>
<surname><![CDATA[Peng]]></surname>
<given-names><![CDATA[G. W.]]></given-names>
</name>
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Feng]]></surname>
<given-names><![CDATA[Y. P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Wurtzite NiO: A potential half-metal for wide gap semiconductors]]></article-title>
<source><![CDATA[Appl. Phys. Lett.]]></source>
<year>2006</year>
<volume>89</volume>
</nlm-citation>
</ref>
<ref id="B11">
<label>11</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Amari]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Mebsout]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Mecabih]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Abbar]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Bouhafs]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[First-principle study of magnetic, elastic and thermal properties of full Heusler Co2MnSi]]></article-title>
<source><![CDATA[Intermetallics]]></source>
<year>2014</year>
<volume>44</volume>
<page-range>26</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>12</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Shakil]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Theoretical investigation of structural, magnetic and elastic properties of half Heusler LiCrZ (Z= P, As, Bi, Sb) alloys]]></article-title>
<source><![CDATA[Phys. B Condens. Matter.]]></source>
<year>2019</year>
<volume>575</volume>
</nlm-citation>
</ref>
<ref id="B13">
<label>13</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Uto]]></surname>
<given-names><![CDATA[O. T.]]></given-names>
</name>
<name>
<surname><![CDATA[Adebambo]]></surname>
<given-names><![CDATA[P. O.]]></given-names>
</name>
<name>
<surname><![CDATA[Akinlami]]></surname>
<given-names><![CDATA[J. O.]]></given-names>
</name>
<name>
<surname><![CDATA[Adebayo]]></surname>
<given-names><![CDATA[G. A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Predicting the stable Type-I phase of XMnSb (X= Co, Fe, Os) compounds and its thermodynamic, electronic and magnetic properties from first-principles calculations]]></article-title>
<source><![CDATA[Solid State Sci.]]></source>
<year>2020</year>
<volume>105</volume>
</nlm-citation>
</ref>
<ref id="B14">
<label>14</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rambabu]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Kanchana]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Electronic Topological Transitions in CuNiMnAl and CuNiMnSn under pressure from first principles study]]></article-title>
<source><![CDATA[Solid State Sci.]]></source>
<year>2018</year>
<volume>80</volume>
<page-range>92</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>15</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kato]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Metallic ordered double-perovskite Sr2CrReO6 with maximal Curie temperature of 635 K]]></article-title>
<source><![CDATA[Appl, Phys. Lett.]]></source>
<year>2002</year>
<volume>81</volume>
<page-range>328</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>16</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zu]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Ai]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structural, electronic and magnetic properties and pressure-induced galf metallicity in double perovskite Ca2AOsO6 (A=Cr, Mo)]]></article-title>
<source><![CDATA[J. Magn. Magn Mater.]]></source>
<year>2018</year>
<volume>467</volume>
<page-range>145</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>17</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[Z H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Martensitic transformation and shape memory effect in ferromagnetic Heusler alloy Ni2FeGa]]></article-title>
<source><![CDATA[Appl. Phys. Lett.]]></source>
<year>2003</year>
<volume>82</volume>
<page-range>424</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>18</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Tan]]></surname>
<given-names><![CDATA[C. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Tian]]></surname>
<given-names><![CDATA[X. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Cai]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES: Effect of Fe on Martensitic Transformation of NbRu High-Temperature Shape Memory Alloys: Experimental and Theoretical Study]]></article-title>
<source><![CDATA[Chinese Phys. Lett.]]></source>
<year>2008</year>
<volume>25</volume>
<page-range>3372</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>19</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bainsla]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Spin gapless semiconducting behavior in equiatomic quaternary CoFeMnSi Heusler alloy]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2015</year>
<volume>91</volume>
</nlm-citation>
</ref>
<ref id="B20">
<label>20</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[G Z.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[A new spin gapless semiconductors family: Quaternary Heusler compounds]]></article-title>
<source><![CDATA[EPL]]></source>
<year>2013</year>
<volume>102</volume>
</nlm-citation>
</ref>
<ref id="B21">
<label>21</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gao]]></surname>
<given-names><![CDATA[Q.]]></given-names>
</name>
<name>
<surname><![CDATA[Opahle]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[H B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[High-throughput screening for spin-gapless semiconductors in quaternary Heusler compounds]]></article-title>
<source><![CDATA[Phys. Rev. Materials]]></source>
<year>2019</year>
<volume>3</volume>
</nlm-citation>
</ref>
<ref id="B22">
<label>22</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[X W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Theoretical design of multifunctional half-Heusler materials based on first-principles calculations]]></article-title>
<source><![CDATA[Chinese Phys. B]]></source>
<year>2018</year>
<volume>27</volume>
</nlm-citation>
</ref>
<ref id="B23">
<label>23</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hammou]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Thermoelectric and Half-Metallic Behavior of the Novel Heusler Alloy RbCrC: Ab initio DFT Study]]></article-title>
<source><![CDATA[SPIN]]></source>
<year>2020</year>
<volume>10</volume>
</nlm-citation>
</ref>
<ref id="B24">
<label>24</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wei]]></surname>
<given-names><![CDATA[X P.]]></given-names>
</name>
<name>
<surname><![CDATA[Gao]]></surname>
<given-names><![CDATA[P F.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[Y L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Investigations on Gilbert damping, Curie temperatures and thermoelectric properties in CoFeCrZ quaternary Heusler alloys]]></article-title>
<source><![CDATA[Curr. Appl. Phys.]]></source>
<year>2020</year>
<volume>20</volume>
<page-range>593</page-range></nlm-citation>
</ref>
<ref id="B25">
<label>25</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Chadov]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Tunable multifunctional topological insulators in ternary Heusler compounds]]></article-title>
<source><![CDATA[Nat. Mater.]]></source>
<year>2010</year>
<volume>9</volume>
<page-range>541</page-range></nlm-citation>
</ref>
<ref id="B26">
<label>26</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bouabca]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Rozale]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Amar]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Sayade]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Chahed]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[First-principles study of new series of quaternary Heusler alloys CsSrCZ (Z= Si, Ge, Sn, P, As, and Sb)]]></article-title>
<source><![CDATA[J. Magn. Magn. Mater.]]></source>
<year>2016</year>
<volume>419</volume>
<page-range>210</page-range></nlm-citation>
</ref>
<ref id="B27">
<label>27</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Du]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Feng]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Qin]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Cheng]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Novel bipolar magnetic semiconducting and fully compensated ferrimagnetic semiconducting characters in newly designed LiMgPdSn-type compounds: KCaCX (X = O, S, and Se)]]></article-title>
<source><![CDATA[J. Alloys Compd.]]></source>
<year>2017</year>
<volume>710</volume>
<page-range>1</page-range></nlm-citation>
</ref>
<ref id="B28">
<label>28</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yin]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Nash]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Standard enthalpies of formation of selected XYZ half-Heusler compounds]]></article-title>
<source><![CDATA[J. Chem. Thermodyn.]]></source>
<year>2015</year>
<volume>91</volume>
<page-range>1</page-range></nlm-citation>
</ref>
<ref id="B29">
<label>29</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Laref]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Sasioglu]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Galanakis]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Exchange interactions, spin waves, and Curie temperature in zincblende half-metallic spelectron ferromagnets: the case of CaZ (Z= N, P, As, Sb)]]></article-title>
<source><![CDATA[J. Phys. Condens. Matter.]]></source>
<year>2011</year>
<volume>23</volume>
</nlm-citation>
</ref>
<ref id="B30">
<label>30</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rozale]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
<name>
<surname><![CDATA[Amar]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Lakdja]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Moukadem]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Chahed]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Half-metallicity in the half-Heusler RbSrC, RbSrSi and RbSrGe compounds]]></article-title>
<source><![CDATA[J. Magn. Magn. Mater.]]></source>
<year>2013</year>
<volume>336</volume>
<page-range>83</page-range></nlm-citation>
</ref>
<ref id="B31">
<label>31</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rozale]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Khetir]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Amar]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Lakdja]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Sayede]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Benhelal]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ab-initio study of half-metallic ferromagnetism in the XCsSr (X= C, Si, Ge, and Sn) half-Heusler compounds]]></article-title>
<source><![CDATA[Superlattice. Microst.]]></source>
<year>2014</year>
<volume>74</volume>
<page-range>146</page-range></nlm-citation>
</ref>
<ref id="B32">
<label>32</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Benabboun]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Mesri]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Tadjer]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Lakdja]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Benhelal]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Half-metallicity ferromagnetism in half-Heusler XCaZ (X= Li, Na ; Z= B, C) compounds: an ab initio calculation]]></article-title>
<source><![CDATA[J Supercond Nov Magn.]]></source>
<year>2015</year>
<volume>28</volume>
<page-range>2881</page-range></nlm-citation>
</ref>
<ref id="B33">
<label>33</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Abada]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Marbouh]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Study of new d0 half-metallic half-Heusler alloy MgCaB: first-principles calculations]]></article-title>
<source><![CDATA[J Supercond Nov Magn.]]></source>
<year>2020</year>
<volume>33</volume>
<page-range>889</page-range></nlm-citation>
</ref>
<ref id="B34">
<label>34</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Umamaheswari]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Yogeswari]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Kalpana]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ab-initio investigation of half-metallic ferromagnetism in half-Heusler compounds XYZ (X= Li, Na, K and Rb; Y= Mg, Ca, Sr and Ba; Z=B, Al and Ga)]]></article-title>
<source><![CDATA[J. Magn. Magn. Mater.]]></source>
<year>2014</year>
<volume>350</volume>
<page-range>167</page-range></nlm-citation>
</ref>
<ref id="B35">
<label>35</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ahmad]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Murtaza]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Khenata]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Omran]]></surname>
<given-names><![CDATA[S.B.]]></given-names>
</name>
<name>
<surname><![CDATA[Bouhemadou]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structural, elastic, electronic, magnetic and optical properties of RbSrX (C, SI, Ge) half-Heusler compounds]]></article-title>
<source><![CDATA[J. Magn. Magn. Mater.]]></source>
<year>2015</year>
<volume>377</volume>
<page-range>204</page-range></nlm-citation>
</ref>
<ref id="B36">
<label>36</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Safavi]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Moradi]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Rostami]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structural, electronic and magnetic properties of NaKZ (Z= N, P, As, and Sb) half-Heusler compounds: a first-principles study]]></article-title>
<source><![CDATA[J. Supercond. Nov. Magn.]]></source>
<year>2017</year>
<volume>30</volume>
<page-range>989</page-range></nlm-citation>
</ref>
<ref id="B37">
<label>37</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zhao]]></surname>
<given-names><![CDATA[J. S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[First-principles study of the structure, electronic, magnetic and elastic properties of half-Heusler compound LiXGe (X= Ca, Sr and Ba)]]></article-title>
<source><![CDATA[Intermetallics]]></source>
<year>2017</year>
<volume>89</volume>
<page-range>65</page-range></nlm-citation>
</ref>
<ref id="B38">
<label>38</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rostami]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Half-metallic property of the bulk and (001) surfaces of MNaCs (M= P, As) half-Heusler alloys: A density functional theory approach]]></article-title>
<source><![CDATA[Surf. Sci.]]></source>
<year>2018</year>
<volume>674</volume>
<page-range>103</page-range></nlm-citation>
</ref>
<ref id="B39">
<label>39</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kohn]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
<name>
<surname><![CDATA[Sham]]></surname>
<given-names><![CDATA[L. J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Self-Consistent Equations Including Exchange and Correlation]]></article-title>
<source><![CDATA[Effects, Phys. Rev.]]></source>
<year>1965</year>
<volume>140</volume>
<page-range>A1133</page-range></nlm-citation>
</ref>
<ref id="B40">
<label>40</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Schwarz]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Blaha]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Madsen]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Electronic structure calculations of solids using the WIEN2k package for material sciences]]></article-title>
<source><![CDATA[Comput. Phys. Commun.]]></source>
<year>2002</year>
<volume>147</volume>
<page-range>71</page-range></nlm-citation>
</ref>
<ref id="B41">
<label>41</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Blaha]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Schwarz]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Madsen]]></surname>
<given-names><![CDATA[G.K.H.]]></given-names>
</name>
<name>
<surname><![CDATA[Kvasnicka]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Luitz]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<source><![CDATA[WIEN2k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties]]></source>
<year>2001</year>
<publisher-loc><![CDATA[Vienna ]]></publisher-loc>
<publisher-name><![CDATA[Vienna University of Technology]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B42">
<label>42</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Perdew]]></surname>
<given-names><![CDATA[J. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Burke]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Ernzerhof]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Generalized gradient approximation made simple]]></article-title>
<source><![CDATA[Phys. Rev. Lett.]]></source>
<year>1996</year>
<volume>77</volume>
<page-range>3865</page-range></nlm-citation>
</ref>
<ref id="B43">
<label>43</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Murnaghan]]></surname>
<given-names><![CDATA[F.D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The Compressibility of Media under Extreme Pressures]]></article-title>
<source><![CDATA[Proc. Natl. Acad. Sci. USA]]></source>
<year>1944</year>
<volume>30</volume>
<page-range>244</page-range></nlm-citation>
</ref>
<ref id="B44">
<label>44</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bendahma]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Mana]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Terkhi]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Cherid]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Bestani]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Bentata]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Investigation of high figure of merit in semiconductor XHfGe (X= Ni and Pd) half-Heusler alloys: Ab-initio study]]></article-title>
<source><![CDATA[Comput. Cond. Matter.]]></source>
<year>2019</year>
<volume>21</volume>
</nlm-citation>
</ref>
<ref id="B45">
<label>45</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Srivastava]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Weaire]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The theory of the cohesive energies of solids]]></article-title>
<source><![CDATA[Adv. Phys.]]></source>
<year>1987</year>
<volume>36</volume>
<page-range>463</page-range></nlm-citation>
</ref>
<ref id="B46">
<label>46</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Du]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Feng]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Qin]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Cheng]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Novel bipolar magnetic semiconducting and fully compensated ferrimagnetic semiconducting characters in newly designed LiMgPdSn-type compounds: KCaCX (X = O, S, and Se)]]></article-title>
<source><![CDATA[J. Alloys Compd.]]></source>
<year>2017</year>
<volume>710</volume>
<page-range>1</page-range></nlm-citation>
</ref>
<ref id="B47">
<label>47</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ram]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Saxena]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Aly]]></surname>
<given-names><![CDATA[A. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Shankar]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Half-metallicity in new Heusler alloys Mn2ScZ (Z = Si, Ge, Sn)]]></article-title>
<source><![CDATA[RSCAdv]]></source>
<year>2020</year>
<volume>10</volume>
<page-range>7661</page-range></nlm-citation>
</ref>
<ref id="B48">
<label>48</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[J. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Yip]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Phillpot]]></surname>
<given-names><![CDATA[S. R.]]></given-names>
</name>
<name>
<surname><![CDATA[Wolf]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Crystal instabilities at finite strain]]></article-title>
<source><![CDATA[Phys. Rev. Lett.]]></source>
<year>1993</year>
<volume>71</volume>
<page-range>4182</page-range></nlm-citation>
</ref>
<ref id="B49">
<label>49</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hill]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The elastic behaviour of a crystalline aggregate]]></article-title>
<source><![CDATA[Proc. Phys. Soc A]]></source>
<year>1952</year>
<volume>65</volume>
<page-range>349</page-range></nlm-citation>
</ref>
<ref id="B50">
<label>50</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Pugh]]></surname>
<given-names><![CDATA[S. F.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals]]></article-title>
<source><![CDATA[Philos. Mag. A]]></source>
<year>1954</year>
<volume>45</volume>
<page-range>43</page-range></nlm-citation>
</ref>
<ref id="B51">
<label>51</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Frantsevich]]></surname>
<given-names><![CDATA[I. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Voronov]]></surname>
<given-names><![CDATA[F. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Bokuta]]></surname>
<given-names><![CDATA[S. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Frantsevich]]></surname>
<given-names><![CDATA[I. N.]]></given-names>
</name>
<name>
<surname><![CDATA[Dumka]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
</person-group>
<source><![CDATA[Elastic Constants and Elastic Modulus of Metals and Insulators]]></source>
<year>1983</year>
<publisher-loc><![CDATA[Kievl ]]></publisher-loc>
</nlm-citation>
</ref>
<ref id="B52">
<label>52</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Lakdja]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Rozale]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Chahed]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Benhelal]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ferromagnetism in the half-heusler XCsBa compounds from first-principles calculations (X= C, Si, and Ge)]]></article-title>
<source><![CDATA[J. Alloy. Compd.]]></source>
<year>2013</year>
<volume>564</volume>
<page-range>8</page-range></nlm-citation>
</ref>
<ref id="B53">
<label>53</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sasioglu]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Galanakis]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Sandratskii]]></surname>
<given-names><![CDATA[L. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Bruno]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Stability of ferromagnetism in the half-metallic pnictides and similar compounds: a first-principles study]]></article-title>
<source><![CDATA[J. Phys. Condens. Matter.]]></source>
<year>2005</year>
<volume>17</volume>
<page-range>3915</page-range></nlm-citation>
</ref>
<ref id="B54">
<label>54</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bentata]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[New p-type sp-based half-Heusler compounds LiBaX (X= Si, Ge) for spintronics and thermoelectricity via ab-initio calculations]]></article-title>
<source><![CDATA[J. Comput. Electron.]]></source>
<year>2021</year>
<volume>20</volume>
<page-range>1072</page-range></nlm-citation>
</ref>
<ref id="B55">
<label>55</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Beldi]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Zaoui]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Obodo]]></surname>
<given-names><![CDATA[K.O.]]></given-names>
</name>
<name>
<surname><![CDATA[Bendaoud]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Bouhafs]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[d0 Half-Metallic Ferromagnetism in GeNaZ (Z = Ca, Sr, and Ba) Ternary Half-Heusler Alloys: an Ab initio Investigation]]></article-title>
<source><![CDATA[J. Supercond. Novel Magn.]]></source>
<year>2020</year>
<volume>33</volume>
<page-range>3121</page-range></nlm-citation>
</ref>
<ref id="B56">
<label>56</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Blanco]]></surname>
<given-names><![CDATA[M.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Francisco]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Luana]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model]]></article-title>
<source><![CDATA[Comput. Phys. Commun.]]></source>
<year>2004</year>
<volume>158</volume>
<page-range>57</page-range></nlm-citation>
</ref>
<ref id="B57">
<label>57</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Florez]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Recio]]></surname>
<given-names><![CDATA[J. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Francisco]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Blanco]]></surname>
<given-names><![CDATA[M. A]]></given-names>
</name>
<name>
<surname><![CDATA[Martin Pendas]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[First-principles study of the rocksalt-cesium chloride relative phase stability in alkali halides]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2002</year>
<volume>66</volume>
</nlm-citation>
</ref>
<ref id="B58">
<label>58</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Blanco]]></surname>
<given-names><![CDATA[M.A.]]></given-names>
</name>
<name>
<surname><![CDATA[Martín Pendás]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Francisco]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Recio]]></surname>
<given-names><![CDATA[J. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Franco]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Thermodynamical properties of solids from microscopic theory: applications to MgF2 and Al2O3]]></article-title>
<source><![CDATA[J. Mol. Struct. (Theochem)]]></source>
<year>1996</year>
<volume>368</volume>
<page-range>245</page-range></nlm-citation>
</ref>
<ref id="B59">
<label>59</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Francisco]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Blanco]]></surname>
<given-names><![CDATA[M. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Sanjurjo]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Atomistic simulation of SrF2 Polymorphs]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2001</year>
<volume>63</volume>
</nlm-citation>
</ref>
<ref id="B60">
<label>60</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Otero-de-la-Roza]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Abbasi-Perez]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Luaña]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation]]></article-title>
<source><![CDATA[Comput. Phys. Commun.]]></source>
<year>2011</year>
<volume>182</volume>
<page-range>2232</page-range></nlm-citation>
</ref>
<ref id="B61">
<label>61</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sung]]></surname>
<given-names><![CDATA[C.M.]]></given-names>
</name>
<name>
<surname><![CDATA[Sung]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Carbon nitride and other speculative superhard materials]]></article-title>
<source><![CDATA[Mater. Chem. Phys.]]></source>
<year>1996</year>
<volume>43</volume>
<page-range>1</page-range></nlm-citation>
</ref>
<ref id="B62">
<label>62</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sahnoun]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
<name>
<surname><![CDATA[Bouhani-Benziane]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Sahnoun]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Driz]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Daul]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ab initio study of structural, electronic and thermodynamic properties of tungstate double perovskites Ba2MWO6 (M= Mg, Ni, Zn)]]></article-title>
<source><![CDATA[Comput. Mater. Sci.]]></source>
<year>2013</year>
<volume>77</volume>
<page-range>316</page-range></nlm-citation>
</ref>
<ref id="B63">
<label>63</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Debye]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Debye model]]></article-title>
<source><![CDATA[Ann. Phys.]]></source>
<year>1912</year>
<volume>39</volume>
<page-range>789</page-range></nlm-citation>
</ref>
<ref id="B64">
<label>64</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Fox]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The background to the discovery of Dulong and Petit's law]]></article-title>
<source><![CDATA[British. J. History Sci.]]></source>
<year>1968</year>
<volume>4</volume>
<page-range>1</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
