<?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>S0035-001X2021000600008</article-id>
<article-id pub-id-type="doi">10.31349/revmexfis.67.061002</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Predictive study of ferromagnetism and antiferromagnetism coexistence in Ba1-xGdxRuO3 induced by Gd-doping]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Labdelli]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Hamdad]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Université de Mostaganem Biotechnology Applied to Agriculture and Environment Preservation Laboratory ]]></institution>
<addr-line><![CDATA[Mostaganem ]]></addr-line>
<country>Algeria</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Higher School of Agronomy  ]]></institution>
<addr-line><![CDATA[Mostaganem ]]></addr-line>
<country>Algeria</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,DjillaliLiabs University Faculty of Technology ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Algeria</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2021</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2021</year>
</pub-date>
<volume>67</volume>
<numero>6</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2021000600008&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2021000600008&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2021000600008&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Some ferromagnetic alloys which adopt the perovskite or double-perovskite structure exhibit some remarkable properties, such as electromagnetic effects, charge and orbital ordering, i.e., dielectric and magnetoresistance effects in the same time. These phenomena are related to both electrical conductivity and spin orbit orientation. In order to optimize and explore the structural, magnetic and electronic properties of Ba1-xGdxRuO3 alloy, we investigated here the first-principles calculations using the generalized gradient approximation (GGA+U+SO) as implemented in the Wien2K package. The concentration classification of Ba1-xGdxRuO3 alloy with (x = 0, 0.125, 0.25, 0.5, 0.875, 1) is given. In this work, we have identified features such transition phases, spin ordered and charge conduction that enable a priori of both crystal structure and magnetic behavior prediction. Our Ba1-xGdxRuO3 alloy is a half-metallic in the cubic phase and a Mott insulator for x = 0.875 and semiconductor for x = 1 in the orthorhombic phase. The Ba1-xGdxRuO3 alloy therefore undergoes a transition between a cubic phase and another orthorhombic at x = 0.5. It is clear that at this point our alloy (Ba0,5Gd0.5RuO3) is at the same time FM and AFM A-type, in another way, we can say that A-AFM and FM configurations coexist in our alloys. In the case of our GdxBa1-xRuO3 alloy, we can see that the total magnetic moment increases linearly with the concentrations &#8220;x&#8221; since it has passed from 15.99 &#956;B for x = 0 to 39.95 &#956;B for x = 0.5, this is valid in the cubic phase. That is related to a heavily magnetic moment of spin in the Ru atom which increases also linearly with increasing x, while the magnetic moment of Gd decreases slightly. In the orthorhombic phase, its value remains zero regardless of the concentration because we are in an antiferromagnetic (AF) configuration. The collaboration of the 3d-Ru and 2p-O states is suggested to play an important role for the ferromagnetism in the considered alloy. These orbitals were the most regular in the two bands respectively: the conduction band and the valence band in the two phases given here (cubic and orthorhombic). We also note the mixed collaboration of the states 3d-Ba. On the other hand, the contribution of 3d-Gd states was only effective in the band of conduction, at the time when that of the 4f-Gd states was noticed especially in the orthorhombic phase.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Perovskite]]></kwd>
<kwd lng="en"><![CDATA[alloy]]></kwd>
<kwd lng="en"><![CDATA[transition phases]]></kwd>
<kwd lng="en"><![CDATA[GGA+U+SO]]></kwd>
<kwd lng="en"><![CDATA[electromagnetic effects]]></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[Ueda]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Nakajima]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[The A-site ordered manganese perovskite and its colossal magnetoresistance]]></article-title>
<source><![CDATA[Prog. Solid State Chem]]></source>
<year>2007</year>
<volume>35</volume>
<page-range>397</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[Ho]]></surname>
<given-names><![CDATA[. Giang]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Nanosized perovskite oxide NdFeO3 as material for a carbon-monoxide catalytic gas sensor]]></article-title>
<source><![CDATA[Adv. Nat. Sci. Nanosci. Nanotechnol]]></source>
<year>2011</year>
<volume>2</volume>
<page-range>15012</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[Fang]]></surname>
<given-names><![CDATA[Q.-L.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[J.-M.]]></given-names>
</name>
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[K.-W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Vacancy and doping driven ferromagnetism in BaTiO3 perovskite]]></article-title>
<source><![CDATA[Phys. B Condens. Matter]]></source>
<year>2013</year>
<volume>424</volume>
<page-range>79</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>4</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Jonker]]></surname>
<given-names><![CDATA[G. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Santen]]></surname>
<given-names><![CDATA[J. H. Van]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ferromagnetic compounds of manganese with perovskite structure]]></article-title>
<source><![CDATA[Physica]]></source>
<year>1950</year>
<volume>16</volume>
<page-range>337</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[Topolov]]></surname>
<given-names><![CDATA[V. Y.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Effect of a tetragonal phase on heterophase states in perovskite-type ferroelectric solid solutions]]></article-title>
<source><![CDATA[Solid State Commun]]></source>
<year>2013</year>
<volume>170</volume>
<page-range>1</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>6</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ding]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Low-temperature protonic ceramic membrane fuel cells (PCMFCs) with SrCo0.9Sb0.1O3-&#948; cubic perovskite cathode]]></article-title>
<source><![CDATA[J. Power Sources]]></source>
<year>2008</year>
<volume>185</volume>
<page-range>937</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>7</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Page]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Kolodiazhnyi]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Proffen]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Cheetham]]></surname>
<given-names><![CDATA[A. K.]]></given-names>
</name>
<name>
<surname><![CDATA[Seshadri]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Local Structural Origins of the Distinct Electronic Properties of Nb-Substituted SrTiO3 and BaTiO3]]></article-title>
<source><![CDATA[Phys. Rev. Lett]]></source>
<year>2008</year>
<volume>101</volume>
<page-range>205502</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[Zhou]]></surname>
<given-names><![CDATA[J.-S.]]></given-names>
</name>
<name>
<surname><![CDATA[Goodenough]]></surname>
<given-names><![CDATA[J. B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Pressure-Induced Transition from Localized Electron Toward Band Antiferromagnetism in LaMnO3]]></article-title>
<source><![CDATA[Phys. Rev. Lett]]></source>
<year>2002</year>
<volume>89</volume>
<page-range>087201</page-range></nlm-citation>
</ref>
<ref id="B9">
<label>9</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Zhao]]></surname>
<given-names><![CDATA[J. G.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structural and physical properties of the 6H BaRuO3 polymorph synthesized under high pressure]]></article-title>
<source><![CDATA[J. Solid State Chem]]></source>
<year>2007</year>
<volume>180</volume>
<page-range>2816</page-range></nlm-citation>
</ref>
<ref id="B10">
<label>10</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[labdelli]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<source><![CDATA[Etude des propriétés physiques des pérovskitesoxydes ABO3]]></source>
<year>2018</year>
<page-range>130-1</page-range><publisher-name><![CDATA[Presses Académiques Francophones]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B11">
<label>11</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ogawa]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Sato]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[New ternary barium ruthenates : 10H-type BaRuO3 and Ba2Ru7O18]]></article-title>
<source><![CDATA[J. Alloys Compd]]></source>
<year>2004</year>
<volume>383</volume>
<page-range>313</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[Felser]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Cava]]></surname>
<given-names><![CDATA[R. J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Electronic structure of two crystallographic forms of BaRuO3]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2000</year>
<volume>61</volume>
<page-range>10005</page-range></nlm-citation>
</ref>
<ref id="B13">
<label>13</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Han]]></surname>
<given-names><![CDATA[D.-M.]]></given-names>
</name>
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[X.-J.]]></given-names>
</name>
<name>
<surname><![CDATA[Lv]]></surname>
<given-names><![CDATA[S.-H.]]></given-names>
</name>
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[H.-P.]]></given-names>
</name>
<name>
<surname><![CDATA[Meng]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Elastic properties of cubic perovskite BaRuO3 from first-principles calculations]]></article-title>
<source><![CDATA[Phys. B Condens. Matter]]></source>
<year>2010</year>
<volume>405</volume>
<page-range>3117</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>14</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Jin]]></surname>
<given-names><![CDATA[C.-Q.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[High-pressure synthesis of the cubic perovskite BaRuO3 and evolution of ferromagnetism in ARuO3 (A = Ca, Sr, Ba) ruthenates]]></article-title>
<source><![CDATA[Proc. Natl. Acad. Sci]]></source>
<year>2008</year>
<volume>105</volume>
<page-range>7115</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[Labdelli]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Noura]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Perovskite oxides MRuO3 (M =Sr, Ca and Ba) : Structural distortion, electronic and magnetic properties with GGA and GGA-modified Becke-Johnson approaches]]></article-title>
<source><![CDATA[Results Phys]]></source>
<year>2015</year>
<volume>5</volume>
<page-range>38</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>16</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sinclair]]></surname>
<given-names><![CDATA[A. L.]]></given-names>
</name>
</person-group>
<source><![CDATA[High pressure synthesis and study of ternary ruthenates]]></source>
<year>2013</year>
<page-range>115-68</page-range><publisher-name><![CDATA[University of Edinburgh]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B17">
<label>17</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Labdelli]]></surname>
<given-names><![CDATA[.]]></given-names>
</name>
<name>
<surname><![CDATA[Boukortt]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Meskine]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Abbassa]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Zaoui]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Investigation of optoelectronic and thermoelectric properties of half-metallic BaRuO3 using DFT+U]]></article-title>
<source><![CDATA[Int. J. Comput. Mater. Sci. Eng]]></source>
<year>2018</year>
<volume>7</volume>
<page-range>1850018</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[Labdelli]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Meskine]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Boukortt]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Khenata]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Optoelectronic and magnetic properties of the ortho-perovskite GdRuO3 using DFT+U with spin-orbit coupling: predictive study]]></article-title>
<source><![CDATA[J. New Technol. Mater]]></source>
<year>2018</year>
<volume>8</volume>
<page-range>126</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[Song]]></surname>
<given-names><![CDATA[Y.-J.]]></given-names>
</name>
<name>
<surname><![CDATA[Lee]]></surname>
<given-names><![CDATA[K.-W.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Effects of Magneto volume and Spin-orbit Coupling in the Ferromagnetic Cubic Perovskite BaRuO3]]></article-title>
<source><![CDATA[Journal of the Korean Physical Society]]></source>
<year>2012</year>
<volume>62</volume>
<page-range>1869</page-range></nlm-citation>
</ref>
<ref id="B20">
<label>20</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Shi]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[High-Pressure Synthesis of 5d Cubic Perovskite BaOsO3 at 17 GPa: Ferromagnetic Evolution over 3d to 5d Series]]></article-title>
<source><![CDATA[Journal of the American Chemical Society]]></source>
<year>2013</year>
<volume>135</volume>
<page-range>16507</page-range></nlm-citation>
</ref>
<ref id="B21">
<label>21</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Rautama]]></surname>
<given-names><![CDATA[E. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Cationic Ordering and Microstructural Effects in the Ferromagnetic Perovskite La0.5Ba0.5CoO3: Impact upon Magnetotransport Properties]]></article-title>
<source><![CDATA[Chemistry of Materials]]></source>
<year>2008</year>
<volume>20</volume>
<page-range>2742</page-range></nlm-citation>
</ref>
<ref id="B22">
<label>22</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Cheng]]></surname>
<given-names><![CDATA[J. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhou]]></surname>
<given-names><![CDATA[J. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Goodenough]]></surname>
<given-names><![CDATA[J. B.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Lattice effects on ferromagnetism in perovskite ruthenates]]></article-title>
<source><![CDATA[Proceedings of the National Academy of Sciences of the United States of America]]></source>
<year>2013</year>
<volume>110</volume>
<page-range>13312</page-range></nlm-citation>
</ref>
<ref id="B23">
<label>23</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kobayashi]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Kaneko]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Asai]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Magnetic and transport properties in Ba1-xSrxRuO3 single crystals]]></article-title>
<source><![CDATA[J. Phys. Conf. Ser]]></source>
<year>2010</year>
<volume>200</volume>
<page-range>012091</page-range></nlm-citation>
</ref>
<ref id="B24">
<label>24</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kobayashi]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Iwata]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Kaneko]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Sato]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Asai]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Extraordinary Hall effect in Ba1-xSrxRuO3]]></article-title>
<source><![CDATA[J. Phys. Conf. Ser]]></source>
<year>2010</year>
<volume>200</volume>
<page-range>012090</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[Xu]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Gu]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Wu]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ferromagnetism and antiferromagnetism coexistence in Sr1-xLaxRuO3 induced by La-doping]]></article-title>
<source><![CDATA[Solid State Commun]]></source>
<year>2018</year>
<volume>270</volume>
<page-range>119</page-range></nlm-citation>
</ref>
<ref id="B26">
<label>26</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Blaha]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<source><![CDATA[Wien2k, an augmented plane wave plus local orbitals program for calculating crystal properties]]></source>
<year>2018</year>
<publisher-loc><![CDATA[Austria ]]></publisher-loc>
<publisher-name><![CDATA[Vienna university of technology]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B27">
<label>27</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Sjöstedt]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Nordström]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Singh]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[An alternative way of linearizing the augmented plane-wave method]]></article-title>
<source><![CDATA[Solid State Commun]]></source>
<year>2000</year>
<volume>114</volume>
<page-range>15</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[Madsen]]></surname>
<given-names><![CDATA[G. K. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Novák]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Charge order in magnetite. An LDA+ U study]]></article-title>
<source><![CDATA[Europhys. Lett]]></source>
<year>2005</year>
<volume>69</volume>
<page-range>777</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[Anisimov]]></surname>
<given-names><![CDATA[V. I.]]></given-names>
</name>
<name>
<surname><![CDATA[Zaanen]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Andersen]]></surname>
<given-names><![CDATA[O. K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Band theory and Mott insulators: Hubbard U instead of Stoner I]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>1991</year>
<volume>44</volume>
<page-range>943</page-range></nlm-citation>
</ref>
<ref id="B30">
<label>30</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Monkhorst]]></surname>
<given-names><![CDATA[H.J.]]></given-names>
</name>
<name>
<surname><![CDATA[Pack]]></surname>
<given-names><![CDATA[J.D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Special Points for Brillouin-Zone Integrations]]></article-title>
<source><![CDATA[Phys. Rev. B]]></source>
<year>1976</year>
<volume>13</volume>
<page-range>5188</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
