Half-metallicity characteristic at zincblende CrSb(001) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1)
Identifieur interne : 005333 ( Main/Repository ); précédent : 005332; suivant : 005334Half-metallicity characteristic at zincblende CrSb(001) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1)
Auteurs : RBID : Pascal:09-0458881Descripteurs français
- Pascal (Inist)
- Semimétal, Injection spin, Etat électronique surface, Structure bande, Méthode fonctionnelle densité, Terminaison surface, Diagramme phase, Calcul ab initio, Discontinuité bande, Antimoniure de chrome, Electronique spin, Antimoniure de gallium, Arséniure d'indium, Semiconducteur, Structure blende, Hétérostructure, GaSb, InAs.
English descriptors
- KwdEn :
- Ab initio calculations, Band offset, Band structure, Blende structure, Chromium antimonides, Density functional method, Gallium antimonides, Heterostructures, Indium arsenides, Phase diagrams, Semiconductor materials, Semimetals, Spin injection, Spintronics, Surface electron state, Surface termination.
Abstract
Electronic and magnetic properties of the zincblende CrSb(001) surfaces and its interfaces with GaSb(00 1) and InAs(001) semiconductors are studied within the framework of the density-functional theory using the FPLAPW+lo approach. We found that the Cr-terminated surfaces retain the half-metallic character, while the half-metallicity is destroyed for the Sb-terminated surfaces due to surface states, which originate from p electrons. The phase diagram obtained through the ab-initio atomistic thermodynamics shows that at μCr - μbulkCr ≅ 1.57 eV phase transition has occurred. Also the half-metallicity character is preserved at both CrSb/GaSb and CrSb/InAs interfaces. The conduction band minimum (CBM) of CrSb in the minority spin case lies about 0.63 eV above that of InAs, suggesting that the majority spin can be injected into InAs without being flipped to the conduction bands of the minority spin. On the other hand the CrSb/GaSb interface has a greater valence band offset (VBO) compared with the CrSb/InAs interface and the minority electrons have lower contribution in the injected currents and hence more efficient spin injection into the GaSb semiconductor. Thus the CrSb/GaSb and CrSb/InAs heterojunctions can be useful in the field of spintronics.
Links toward previous steps (curation, corpus...)
- to stream Main, to step Corpus: 004E34
Links to Exploration step
Pascal:09-0458881Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Half-metallicity characteristic at zincblende CrSb(001) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1)</title><author><name sortKey="Ahmadian, F" uniqKey="Ahmadian F">F. Ahmadian</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Plasma Physics Research Center, Science and Research Branch, Islamic Azad University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Iran</country><wicri:noRegion>Tehran</wicri:noRegion></affiliation></author><author><name sortKey="Abolhassani, M R" uniqKey="Abolhassani M">M. R. Abolhassani</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Plasma Physics Research Center, Science and Research Branch, Islamic Azad University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Iran</country><wicri:noRegion>Tehran</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Department of Physics, Tarbiat Modares University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>2 aut.</sZ></inist:fA14><country>Iran</country><wicri:noRegion>Tehran</wicri:noRegion></affiliation></author><author><name sortKey="Ghoranneviss, M" uniqKey="Ghoranneviss M">M. Ghoranneviss</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Plasma Physics Research Center, Science and Research Branch, Islamic Azad University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Iran</country><wicri:noRegion>Tehran</wicri:noRegion></affiliation></author><author><name sortKey="Elahi, M" uniqKey="Elahi M">M. Elahi</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Plasma Physics Research Center, Science and Research Branch, Islamic Azad University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Iran</country><wicri:noRegion>Tehran</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="inist">09-0458881</idno><date when="2009">2009</date><idno type="stanalyst">PASCAL 09-0458881 INIST</idno><idno type="RBID">Pascal:09-0458881</idno><idno type="wicri:Area/Main/Corpus">004E34</idno><idno type="wicri:Area/Main/Repository">005333</idno></publicationStmt><seriesStmt><idno type="ISSN">0921-4526</idno><title level="j" type="abbreviated">Physica, B Condens. matter</title><title level="j" type="main">Physica. B, Condensed matter</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term><term>Band offset</term><term>Band structure</term><term>Blende structure</term><term>Chromium antimonides</term><term>Density functional method</term><term>Gallium antimonides</term><term>Heterostructures</term><term>Indium arsenides</term><term>Phase diagrams</term><term>Semiconductor materials</term><term>Semimetals</term><term>Spin injection</term><term>Spintronics</term><term>Surface electron state</term><term>Surface termination</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Semimétal</term><term>Injection spin</term><term>Etat électronique surface</term><term>Structure bande</term><term>Méthode fonctionnelle densité</term><term>Terminaison surface</term><term>Diagramme phase</term><term>Calcul ab initio</term><term>Discontinuité bande</term><term>Antimoniure de chrome</term><term>Electronique spin</term><term>Antimoniure de gallium</term><term>Arséniure d'indium</term><term>Semiconducteur</term><term>Structure blende</term><term>Hétérostructure</term><term>GaSb</term><term>InAs</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Electronic and magnetic properties of the zincblende CrSb(001) surfaces and its interfaces with GaSb(00 1) and InAs(001) semiconductors are studied within the framework of the density-functional theory using the FPLAPW+lo approach. We found that the Cr-terminated surfaces retain the half-metallic character, while the half-metallicity is destroyed for the Sb-terminated surfaces due to surface states, which originate from p electrons. The phase diagram obtained through the ab-initio atomistic thermodynamics shows that at μ<sub>Cr</sub> - μ<sup>bulk</sup><sub>Cr </sub>≅ 1.57 eV phase transition has occurred. Also the half-metallicity character is preserved at both CrSb/GaSb and CrSb/InAs interfaces. The conduction band minimum (CBM) of CrSb in the minority spin case lies about 0.63 eV above that of InAs, suggesting that the majority spin can be injected into InAs without being flipped to the conduction bands of the minority spin. On the other hand the CrSb/GaSb interface has a greater valence band offset (VBO) compared with the CrSb/InAs interface and the minority electrons have lower contribution in the injected currents and hence more efficient spin injection into the GaSb semiconductor. Thus the CrSb/GaSb and CrSb/InAs heterojunctions can be useful in the field of spintronics.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0921-4526</s0></fA01><fA03 i2="1"><s0>Physica, B Condens. matter</s0></fA03><fA05><s2>404</s2></fA05><fA06><s2>20</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Half-metallicity characteristic at zincblende CrSb(001) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1)</s1></fA08><fA11 i1="01" i2="1"><s1>AHMADIAN (F.)</s1></fA11><fA11 i1="02" i2="1"><s1>ABOLHASSANI (M. R.)</s1></fA11><fA11 i1="03" i2="1"><s1>GHORANNEVISS (M.)</s1></fA11><fA11 i1="04" i2="1"><s1>ELAHI (M.)</s1></fA11><fA14 i1="01"><s1>Plasma Physics Research Center, Science and Research Branch, Islamic Azad University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></fA14><fA14 i1="02"><s1>Department of Physics, Tarbiat Modares University</s1><s2>Tehran</s2><s3>IRN</s3><sZ>2 aut.</sZ></fA14><fA20><s1>3684-3693</s1></fA20><fA21><s1>2009</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>145B</s2><s5>354000170349100640</s5></fA43><fA44><s0>0000</s0><s1>© 2009 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>28 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>09-0458881</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Physica. B, Condensed matter</s0></fA64><fA66 i1="01"><s0>NLD</s0></fA66><fC01 i1="01" l="ENG"><s0>Electronic and magnetic properties of the zincblende CrSb(001) surfaces and its interfaces with GaSb(00 1) and InAs(001) semiconductors are studied within the framework of the density-functional theory using the FPLAPW+lo approach. We found that the Cr-terminated surfaces retain the half-metallic character, while the half-metallicity is destroyed for the Sb-terminated surfaces due to surface states, which originate from p electrons. The phase diagram obtained through the ab-initio atomistic thermodynamics shows that at μ<sub>Cr</sub> - μ<sup>bulk</sup><sub>Cr </sub>≅ 1.57 eV phase transition has occurred. Also the half-metallicity character is preserved at both CrSb/GaSb and CrSb/InAs interfaces. The conduction band minimum (CBM) of CrSb in the minority spin case lies about 0.63 eV above that of InAs, suggesting that the majority spin can be injected into InAs without being flipped to the conduction bands of the minority spin. On the other hand the CrSb/GaSb interface has a greater valence band offset (VBO) compared with the CrSb/InAs interface and the minority electrons have lower contribution in the injected currents and hence more efficient spin injection into the GaSb semiconductor. Thus the CrSb/GaSb and CrSb/InAs heterojunctions can be useful in the field of spintronics.</s0></fC01><fC02 i1="01" i2="3"><s0>001B70C20A</s0></fC02><fC02 i1="02" i2="3"><s0>001B70B25</s0></fC02><fC03 i1="01" i2="3" l="FRE"><s0>Semimétal</s0><s5>02</s5></fC03><fC03 i1="01" i2="3" l="ENG"><s0>Semimetals</s0><s5>02</s5></fC03><fC03 i1="02" i2="3" l="FRE"><s0>Injection spin</s0><s5>03</s5></fC03><fC03 i1="02" i2="3" l="ENG"><s0>Spin injection</s0><s5>03</s5></fC03><fC03 i1="03" i2="X" l="FRE"><s0>Etat électronique surface</s0><s5>04</s5></fC03><fC03 i1="03" i2="X" l="ENG"><s0>Surface electron state</s0><s5>04</s5></fC03><fC03 i1="03" i2="X" l="SPA"><s0>Estado electrónico superficie</s0><s5>04</s5></fC03><fC03 i1="04" i2="3" l="FRE"><s0>Structure bande</s0><s5>05</s5></fC03><fC03 i1="04" i2="3" l="ENG"><s0>Band structure</s0><s5>05</s5></fC03><fC03 i1="05" i2="3" l="FRE"><s0>Méthode fonctionnelle densité</s0><s5>06</s5></fC03><fC03 i1="05" i2="3" l="ENG"><s0>Density functional method</s0><s5>06</s5></fC03><fC03 i1="06" i2="3" l="FRE"><s0>Terminaison surface</s0><s5>07</s5></fC03><fC03 i1="06" i2="3" l="ENG"><s0>Surface termination</s0><s5>07</s5></fC03><fC03 i1="07" i2="3" l="FRE"><s0>Diagramme phase</s0><s5>08</s5></fC03><fC03 i1="07" i2="3" l="ENG"><s0>Phase diagrams</s0><s5>08</s5></fC03><fC03 i1="08" i2="3" l="FRE"><s0>Calcul ab initio</s0><s5>09</s5></fC03><fC03 i1="08" i2="3" l="ENG"><s0>Ab initio calculations</s0><s5>09</s5></fC03><fC03 i1="09" i2="X" l="FRE"><s0>Discontinuité bande</s0><s5>11</s5></fC03><fC03 i1="09" i2="X" l="ENG"><s0>Band offset</s0><s5>11</s5></fC03><fC03 i1="09" i2="X" l="SPA"><s0>Discontinuidad banda</s0><s5>11</s5></fC03><fC03 i1="10" i2="3" l="FRE"><s0>Antimoniure de chrome</s0><s2>NK</s2><s5>13</s5></fC03><fC03 i1="10" i2="3" l="ENG"><s0>Chromium antimonides</s0><s2>NK</s2><s5>13</s5></fC03><fC03 i1="11" i2="X" l="FRE"><s0>Electronique spin</s0><s5>14</s5></fC03><fC03 i1="11" i2="X" l="ENG"><s0>Spintronics</s0><s5>14</s5></fC03><fC03 i1="11" i2="X" l="SPA"><s0>Electrónica de espin</s0><s5>14</s5></fC03><fC03 i1="12" i2="3" l="FRE"><s0>Antimoniure de gallium</s0><s2>NK</s2><s5>15</s5></fC03><fC03 i1="12" i2="3" l="ENG"><s0>Gallium antimonides</s0><s2>NK</s2><s5>15</s5></fC03><fC03 i1="13" i2="3" l="FRE"><s0>Arséniure d'indium</s0><s2>NK</s2><s5>16</s5></fC03><fC03 i1="13" i2="3" l="ENG"><s0>Indium arsenides</s0><s2>NK</s2><s5>16</s5></fC03><fC03 i1="14" i2="3" l="FRE"><s0>Semiconducteur</s0><s5>17</s5></fC03><fC03 i1="14" i2="3" l="ENG"><s0>Semiconductor materials</s0><s5>17</s5></fC03><fC03 i1="15" i2="X" l="FRE"><s0>Structure blende</s0><s5>19</s5></fC03><fC03 i1="15" i2="X" l="ENG"><s0>Blende structure</s0><s5>19</s5></fC03><fC03 i1="15" i2="X" l="SPA"><s0>Estructura blenda</s0><s5>19</s5></fC03><fC03 i1="16" i2="3" l="FRE"><s0>Hétérostructure</s0><s5>20</s5></fC03><fC03 i1="16" i2="3" l="ENG"><s0>Heterostructures</s0><s5>20</s5></fC03><fC03 i1="17" i2="3" l="FRE"><s0>GaSb</s0><s4>INC</s4><s5>52</s5></fC03><fC03 i1="18" i2="3" l="FRE"><s0>InAs</s0><s4>INC</s4><s5>53</s5></fC03><fN21><s1>334</s1></fN21></pA></standard></inist></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=IndiumV3/Data/Main/Repository
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 005333 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Repository/biblio.hfd -nk 005333 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= *** parameter Area/wikiCode missing ***
|area= IndiumV3
|flux= Main
|étape= Repository
|type= RBID
|clé= Pascal:09-0458881
|texte= Half-metallicity characteristic at zincblende CrSb(001) surfaces and its interfaces with GaSb(0 0 1) and InAs(0 0 1)
}}
| This area was generated with Dilib version V0.5.77. |  |