<?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>S0035-001X2024000501603</article-id>
<article-id pub-id-type="doi">10.31349/revmexfis.70.051603</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Ab initio insight into the physical properties of new ferroelectric perovskite oxide materials XGeO3 (X= Sr, Ca)]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Waqdim]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
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</contrib>
<contrib contrib-type="author">
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<surname><![CDATA[Agouri]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
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<surname><![CDATA[Ouali]]></surname>
<given-names><![CDATA[M.]]></given-names>
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<surname><![CDATA[Abbassi]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
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<surname><![CDATA[Taj]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
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<surname><![CDATA[Manaut]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[El Idrissi]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Sultan Moulay Slimane University Polydisciplinary Faculty Laboratory of Research in Physics and Engineering Sciences]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Marruecos</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Sultan Moulay Slimane University Polydisciplinary Faculty of Khouribga ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Marruecos</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>10</month>
<year>2024</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>10</month>
<year>2024</year>
</pub-date>
<volume>70</volume>
<numero>5</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2024000501603&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2024000501603&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2024000501603&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[ The investigation of structural stability, electronic, mechanical, spontanous polarization, and thermodynamic properties of simple cubic perovskite oxides XGeO3 (X =Sr, Ca) has been performed through density functional theory as introduced in Wien2K code. The tolerence factor, Born criteria, and phonon dispersion confirm the stability and the formation of both materials in the ideal cubic structure. Additionally, the application of nmBJ approach in electronic properties shows an exceptional semiconducting aspect. The strain effect on spontaneous polarization of XGeO3 (X =Sr, Ca) perovskites presents an excellent ferroelectric behavior. The thermodynamic parameters such as volume, bulk modulus, thermal expansion coefficient, Debye temperature, Gibbs free energy, enthalpy, heat capacities, and Grüneisen, have been calculated and discussed with a wide range of pressures (0 - 20 GPa) and temperatures (0 - 1000 K). Based on the exceptional semiconducting nature and significant spontaneous polarization, the studied materials can be considered as ferroelectric materials, which make them as a suitable candidates in ferroelctric devices.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[DFT]]></kwd>
<kwd lng="en"><![CDATA[perovskite oxides]]></kwd>
<kwd lng="en"><![CDATA[Wien2K]]></kwd>
<kwd lng="en"><![CDATA[ferroelectric]]></kwd>
<kwd lng="en"><![CDATA[nmBJ]]></kwd>
</kwd-group>
</article-meta>
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<given-names><![CDATA[D. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Analytic model of the Grüneisen parameter all densities]]></article-title>
<source><![CDATA[J. Phys. Chem. Solids]]></source>
<year>2004</year>
<volume>65</volume>
<page-range>1581-7</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
