Emergence of half metallicity in Cr-doped GaP dilute magnetic semiconductor compound within solubility limit
Identifieur interne : 001C66 ( Main/Repository ); précédent : 001C65; suivant : 001C67Emergence of half metallicity in Cr-doped GaP dilute magnetic semiconductor compound within solubility limit
Auteurs : RBID : Pascal:12-0316483Descripteurs français
- Pascal (Inist)
- Semimétal, Addition chrome, Bande interdite, Phosphure de gallium, Limite solubilité, Structure électronique, Propriété électronique, Propriété magnétique, Concentration impureté, Implémentation, Calcul APW, Approximation gradient généralisé, Interaction échange, Addition indium, Semiconducteur semimagnétique, Ferromagnétisme, Niveau Fermi, Hybridation, Moment magnétique, Addition phosphore, Méthode fonctionnelle densité, Electronique spin, GaP, Ga1-xCrxP, 7550S, 7115M, 8575.
English descriptors
- KwdEn :
- APW calculations, Chromium additions, Density functional method, Electronic properties, Electronic structure, Energy gap, Exchange interactions, Fermi level, Ferromagnetism, Gallium phosphide, Generalized gradient approximation, Hybridization, Implementation, Impurity density, Indium additions, Magnetic moments, Magnetic properties, Phosphorus additions, Semimagnetic semiconductors, Semimetals, Solubility limit, Spintronics.
Abstract
The electronic and magnetic properties of Ga1-xCrxP dilute magnetic semiconductor (DMS) compound for dopant concentration, x = 0.25, 0.125, 0.06 and 0.03 have been investigated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method in order to seek out the possibility of new dilute magnetic semiconductor (DMS) compound within generalized gradient approximation (GGA) as exchange-correlation (XC) potential. The calculated results show that the Cr doping in GaP induces the ferromagnetism and originates a half metallic (HM) gap at Fermi level (EF) in minority spin channel (MIC) for all concentrations. The half metallicity is originated by the hybridization of Cr-d states with P-p states. Moreover, the half metallicity remains intact for all Cr-concentration. We also observed that the HM gap increases with the reduction in doping concentration from 0.25 to 0.03. The total magnetic moment of this compound is mainly due to Cr-d states present at EF. A small induced magnetic moment on other non magnetic atoms (Ga and P) for all doping concentrations is a consequence of p-d hybridization between Cr-d and P-p states.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Emergence of half metallicity in Cr-doped GaP dilute magnetic semiconductor compound within solubility limit</title><author><name sortKey="Saini, Hardev S" uniqKey="Saini H">Hardev S. Saini</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Physics, Kurukshetra University</s1><s2>Kurukshetra, 136119 Haryana</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Kurukshetra, 136119 Haryana</wicri:noRegion></affiliation></author><author><name sortKey="Singh, Mukhtiyar" uniqKey="Singh M">Mukhtiyar Singh</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Physics, Kurukshetra University</s1><s2>Kurukshetra, 136119 Haryana</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Kurukshetra, 136119 Haryana</wicri:noRegion></affiliation></author><author><name sortKey="Reshak, Ali H" uniqKey="Reshak A">Ali H. Reshak</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>School of Complex Systems, FFWP - South Bohemia University</s1><s2>Nove Hrady 37333</s2><s3>CZE</s3><sZ>3 aut.</sZ></inist:fA14><country>République tchèque</country><wicri:noRegion>Nove Hrady 37333</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>School of Material Engineering, University Malaysia Perlis, P.O. Box 77, d/a Pejabat Pos Besar</s1><s2>01007 Kangar, Perlis</s2><s3>MYS</s3><sZ>3 aut.</sZ></inist:fA14><country>Malaisie</country><wicri:noRegion>01007 Kangar, Perlis</wicri:noRegion></affiliation></author><author><name sortKey="Kashyap, Manish K" uniqKey="Kashyap M">Manish K. Kashyap</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Department of Physics, Kurukshetra University</s1><s2>Kurukshetra, 136119 Haryana</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Inde</country><wicri:noRegion>Kurukshetra, 136119 Haryana</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="inist">12-0316483</idno><date when="2012">2012</date><idno type="stanalyst">PASCAL 12-0316483 INIST</idno><idno type="RBID">Pascal:12-0316483</idno><idno type="wicri:Area/Main/Corpus">001A19</idno><idno type="wicri:Area/Main/Repository">001C66</idno></publicationStmt><seriesStmt><idno type="ISSN">0925-8388</idno><title level="j" type="abbreviated">J. alloys compd.</title><title level="j" type="main">Journal of alloys and compounds</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>APW calculations</term><term>Chromium additions</term><term>Density functional method</term><term>Electronic properties</term><term>Electronic structure</term><term>Energy gap</term><term>Exchange interactions</term><term>Fermi level</term><term>Ferromagnetism</term><term>Gallium phosphide</term><term>Generalized gradient approximation</term><term>Hybridization</term><term>Implementation</term><term>Impurity density</term><term>Indium additions</term><term>Magnetic moments</term><term>Magnetic properties</term><term>Phosphorus additions</term><term>Semimagnetic semiconductors</term><term>Semimetals</term><term>Solubility limit</term><term>Spintronics</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Semimétal</term><term>Addition chrome</term><term>Bande interdite</term><term>Phosphure de gallium</term><term>Limite solubilité</term><term>Structure électronique</term><term>Propriété électronique</term><term>Propriété magnétique</term><term>Concentration impureté</term><term>Implémentation</term><term>Calcul APW</term><term>Approximation gradient généralisé</term><term>Interaction échange</term><term>Addition indium</term><term>Semiconducteur semimagnétique</term><term>Ferromagnétisme</term><term>Niveau Fermi</term><term>Hybridation</term><term>Moment magnétique</term><term>Addition phosphore</term><term>Méthode fonctionnelle densité</term><term>Electronique spin</term><term>GaP</term><term>Ga1-xCrxP</term><term>7550S</term><term>7115M</term><term>8575</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The electronic and magnetic properties of Ga<sub>1-x</sub>Cr<sub>x</sub>P dilute magnetic semiconductor (DMS) compound for dopant concentration, x <sub>=</sub> 0.25, 0.125, 0.06 and 0.03 have been investigated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method in order to seek out the possibility of new dilute magnetic semiconductor (DMS) compound within generalized gradient approximation (GGA) as exchange-correlation (XC) potential. The calculated results show that the Cr doping in GaP induces the ferromagnetism and originates a half metallic (HM) gap at Fermi level (E<sub>F</sub>) in minority spin channel (MIC) for all concentrations. The half metallicity is originated by the hybridization of Cr-d states with P-p states. Moreover, the half metallicity remains intact for all Cr-concentration. We also observed that the HM gap increases with the reduction in doping concentration from 0.25 to 0.03. The total magnetic moment of this compound is mainly due to Cr-d states present at E<sub>F</sub>. A small induced magnetic moment on other non magnetic atoms (Ga and P) for all doping concentrations is a consequence of p-d hybridization between Cr-d and P-p states.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0925-8388</s0></fA01><fA03 i2="1"><s0>J. alloys compd.</s0></fA03><fA05><s2>536</s2></fA05><fA08 i1="01" i2="1" l="ENG"><s1>Emergence of half metallicity in Cr-doped GaP dilute magnetic semiconductor compound within solubility limit</s1></fA08><fA11 i1="01" i2="1"><s1>SAINI (Hardev S.)</s1></fA11><fA11 i1="02" i2="1"><s1>SINGH (Mukhtiyar)</s1></fA11><fA11 i1="03" i2="1"><s1>RESHAK (Ali H.)</s1></fA11><fA11 i1="04" i2="1"><s1>KASHYAP (Manish K.)</s1></fA11><fA14 i1="01"><s1>Department of Physics, Kurukshetra University</s1><s2>Kurukshetra, 136119 Haryana</s2><s3>IND</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></fA14><fA14 i1="02"><s1>School of Complex Systems, FFWP - South Bohemia University</s1><s2>Nove Hrady 37333</s2><s3>CZE</s3><sZ>3 aut.</sZ></fA14><fA14 i1="03"><s1>School of Material Engineering, University Malaysia Perlis, P.O. Box 77, d/a Pejabat Pos Besar</s1><s2>01007 Kangar, Perlis</s2><s3>MYS</s3><sZ>3 aut.</sZ></fA14><fA20><s1>214-218</s1></fA20><fA21><s1>2012</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>1151</s2><s5>354000506672040350</s5></fA43><fA44><s0>0000</s0><s1>© 2012 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>31 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>12-0316483</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Journal of alloys and compounds</s0></fA64><fA66 i1="01"><s0>GBR</s0></fA66><fC01 i1="01" l="ENG"><s0>The electronic and magnetic properties of Ga<sub>1-x</sub>Cr<sub>x</sub>P dilute magnetic semiconductor (DMS) compound for dopant concentration, x <sub>=</sub> 0.25, 0.125, 0.06 and 0.03 have been investigated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method in order to seek out the possibility of new dilute magnetic semiconductor (DMS) compound within generalized gradient approximation (GGA) as exchange-correlation (XC) potential. The calculated results show that the Cr doping in GaP induces the ferromagnetism and originates a half metallic (HM) gap at Fermi level (E<sub>F</sub>) in minority spin channel (MIC) for all concentrations. The half metallicity is originated by the hybridization of Cr-d states with P-p states. Moreover, the half metallicity remains intact for all Cr-concentration. We also observed that the HM gap increases with the reduction in doping concentration from 0.25 to 0.03. The total magnetic moment of this compound is mainly due to Cr-d states present at E<sub>F</sub>. A small induced magnetic moment on other non magnetic atoms (Ga and P) for all doping concentrations is a consequence of p-d hybridization between Cr-d and P-p states.</s0></fC01><fC02 i1="01" i2="3"><s0>001B70E50S</s0></fC02><fC02 i1="02" i2="3"><s0>001B70A15</s0></fC02><fC02 i1="03" i2="X"><s0>001D03F12</s0></fC02><fC03 i1="01" i2="3" l="FRE"><s0>Semimétal</s0><s5>01</s5></fC03><fC03 i1="01" i2="3" l="ENG"><s0>Semimetals</s0><s5>01</s5></fC03><fC03 i1="02" i2="3" l="FRE"><s0>Addition chrome</s0><s5>02</s5></fC03><fC03 i1="02" i2="3" l="ENG"><s0>Chromium additions</s0><s5>02</s5></fC03><fC03 i1="03" i2="3" l="FRE"><s0>Bande interdite</s0><s5>03</s5></fC03><fC03 i1="03" i2="3" l="ENG"><s0>Energy gap</s0><s5>03</s5></fC03><fC03 i1="04" i2="X" l="FRE"><s0>Phosphure de gallium</s0><s5>04</s5></fC03><fC03 i1="04" i2="X" l="ENG"><s0>Gallium phosphide</s0><s5>04</s5></fC03><fC03 i1="04" i2="X" l="SPA"><s0>Galio fosfuro</s0><s5>04</s5></fC03><fC03 i1="05" i2="X" l="FRE"><s0>Limite solubilité</s0><s5>05</s5></fC03><fC03 i1="05" i2="X" l="ENG"><s0>Solubility limit</s0><s5>05</s5></fC03><fC03 i1="05" i2="X" l="SPA"><s0>Límite solubilidad</s0><s5>05</s5></fC03><fC03 i1="06" i2="3" l="FRE"><s0>Structure électronique</s0><s5>06</s5></fC03><fC03 i1="06" i2="3" l="ENG"><s0>Electronic structure</s0><s5>06</s5></fC03><fC03 i1="07" i2="X" l="FRE"><s0>Propriété électronique</s0><s5>07</s5></fC03><fC03 i1="07" i2="X" l="ENG"><s0>Electronic properties</s0><s5>07</s5></fC03><fC03 i1="07" i2="X" l="SPA"><s0>Propiedad electrónica</s0><s5>07</s5></fC03><fC03 i1="08" i2="3" l="FRE"><s0>Propriété magnétique</s0><s5>08</s5></fC03><fC03 i1="08" i2="3" l="ENG"><s0>Magnetic properties</s0><s5>08</s5></fC03><fC03 i1="09" i2="X" l="FRE"><s0>Concentration impureté</s0><s5>09</s5></fC03><fC03 i1="09" i2="X" l="ENG"><s0>Impurity density</s0><s5>09</s5></fC03><fC03 i1="09" i2="X" l="SPA"><s0>Concentración impureza</s0><s5>09</s5></fC03><fC03 i1="10" i2="3" l="FRE"><s0>Implémentation</s0><s5>10</s5></fC03><fC03 i1="10" i2="3" l="ENG"><s0>Implementation</s0><s5>10</s5></fC03><fC03 i1="11" i2="3" l="FRE"><s0>Calcul APW</s0><s5>11</s5></fC03><fC03 i1="11" i2="3" l="ENG"><s0>APW calculations</s0><s5>11</s5></fC03><fC03 i1="12" i2="3" l="FRE"><s0>Approximation gradient généralisé</s0><s5>12</s5></fC03><fC03 i1="12" i2="3" l="ENG"><s0>Generalized gradient approximation</s0><s5>12</s5></fC03><fC03 i1="13" i2="3" l="FRE"><s0>Interaction échange</s0><s5>13</s5></fC03><fC03 i1="13" i2="3" l="ENG"><s0>Exchange interactions</s0><s5>13</s5></fC03><fC03 i1="14" i2="3" l="FRE"><s0>Addition indium</s0><s5>14</s5></fC03><fC03 i1="14" i2="3" l="ENG"><s0>Indium additions</s0><s5>14</s5></fC03><fC03 i1="15" i2="3" l="FRE"><s0>Semiconducteur semimagnétique</s0><s5>15</s5></fC03><fC03 i1="15" i2="3" l="ENG"><s0>Semimagnetic semiconductors</s0><s5>15</s5></fC03><fC03 i1="16" i2="3" l="FRE"><s0>Ferromagnétisme</s0><s5>29</s5></fC03><fC03 i1="16" i2="3" l="ENG"><s0>Ferromagnetism</s0><s5>29</s5></fC03><fC03 i1="17" i2="3" l="FRE"><s0>Niveau Fermi</s0><s5>30</s5></fC03><fC03 i1="17" i2="3" l="ENG"><s0>Fermi level</s0><s5>30</s5></fC03><fC03 i1="18" i2="3" l="FRE"><s0>Hybridation</s0><s5>31</s5></fC03><fC03 i1="18" i2="3" l="ENG"><s0>Hybridization</s0><s5>31</s5></fC03><fC03 i1="19" i2="3" l="FRE"><s0>Moment magnétique</s0><s5>32</s5></fC03><fC03 i1="19" i2="3" l="ENG"><s0>Magnetic moments</s0><s5>32</s5></fC03><fC03 i1="20" i2="3" l="FRE"><s0>Addition phosphore</s0><s5>33</s5></fC03><fC03 i1="20" i2="3" l="ENG"><s0>Phosphorus additions</s0><s5>33</s5></fC03><fC03 i1="21" i2="3" l="FRE"><s0>Méthode fonctionnelle densité</s0><s5>34</s5></fC03><fC03 i1="21" i2="3" l="ENG"><s0>Density functional method</s0><s5>34</s5></fC03><fC03 i1="22" i2="X" l="FRE"><s0>Electronique spin</s0><s5>35</s5></fC03><fC03 i1="22" i2="X" l="ENG"><s0>Spintronics</s0><s5>35</s5></fC03><fC03 i1="22" i2="X" l="SPA"><s0>Electrónica de espin</s0><s5>35</s5></fC03><fC03 i1="23" i2="3" l="FRE"><s0>GaP</s0><s4>INC</s4><s5>46</s5></fC03><fC03 i1="24" i2="3" l="FRE"><s0>Ga1-xCrxP</s0><s4>INC</s4><s5>47</s5></fC03><fC03 i1="25" i2="3" l="FRE"><s0>7550S</s0><s4>INC</s4><s5>65</s5></fC03><fC03 i1="26" i2="3" l="FRE"><s0>7115M</s0><s4>INC</s4><s5>66</s5></fC03><fC03 i1="27" i2="3" l="FRE"><s0>8575</s0><s4>INC</s4><s5>67</s5></fC03><fN21><s1>240</s1></fN21></pA></standard></inist></record>Pour manipuler ce document sous Unix (Dilib)
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