<?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>S0035-001X2024000200102</article-id>
<article-id pub-id-type="doi">10.31349/revmexfis.70.020501</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[First-principles study of structural, electronic and magnetic properties of diluted magnetic semiconductor and superlattice based on Cr-doped ZnS and ZnSe compounds in wurtzite-type crystal]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Hadj Zoubir]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
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</contrib>
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<surname><![CDATA[Cheref]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
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<contrib contrib-type="author">
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<surname><![CDATA[Merabet]]></surname>
<given-names><![CDATA[M.]]></given-names>
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<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
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<contrib contrib-type="author">
<name>
<surname><![CDATA[Benalia]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
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<surname><![CDATA[Djoudi]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
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<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Rached]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Boucharef]]></surname>
<given-names><![CDATA[M.]]></given-names>
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<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Djillali Liabes University of Sidi Bel Abbes Faculty of Exact Sciences Magnetic Materials Laboratory]]></institution>
<addr-line><![CDATA[Sidi Bel-Abbes ]]></addr-line>
<country>Algeria</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Tissemsilt University Faculty of Sciences and Technology Modelling and Simulation of Magnetic Properties of Heterostructures Laboratory]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Algeria</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>04</month>
<year>2024</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>04</month>
<year>2024</year>
</pub-date>
<volume>70</volume>
<numero>2</numero>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2024000200102&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2024000200102&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2024000200102&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract We performed first-principle calculations to investigate the structural, electronic, and magnetic properties of ZnS and ZnSe binary compounds, Zn5Cr5S and Zn5Cr5Se DMS alloys and (ZnS)2/Zn5Cr5Se and (ZnSe)2/Zn5Cr5S superlattices in the wurtzite structure using the full potential linear muffin-tin orbital (FP-LMTO) method. Features such as lattice constant, modulus of compressibility and its first derivative, spin-polarized band structures, total and local or partial electronic densities of states and magnetic properties were calculated. The electronic structure shows that Zn5Cr5S and Zn5Cr5Se DMS alloys and (ZnS)2/Zn5Cr5Se and (ZnSe)2/Zn5Cr5S superlattices are half-metallic ferromagnetic with 100% complete spin polarization. The total magnetic moments calculated show the same integer value of 4 µB, which confirms the ferromagnetic half-metallic behavior of these compounds. We found that the ferromagnetic state is stabilized by the p-d exchange associated with the double-exchange mechanism. Zn5Cr5S and Zn5Cr5Se DMS alloys and (ZnSe)2/Zn5Cr5Se and (ZnSe)2/Zn5Cr5S superlattices are shown to be promising new candidates for applications in the fields of spintronics.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[FP-LMTO]]></kwd>
<kwd lng="en"><![CDATA[DMS]]></kwd>
<kwd lng="en"><![CDATA[superlattices]]></kwd>
<kwd lng="en"><![CDATA[spintronics]]></kwd>
</kwd-group>
</article-meta>
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