Pressure effect on electronic properties of Sc0.5In0.5N compound
Identifieur interne : 004D36 ( Main/Repository ); précédent : 004D35; suivant : 004D37Pressure effect on electronic properties of Sc0.5In0.5N compound
Auteurs : RBID : Pascal:09-0162005Descripteurs français
- Pascal (Inist)
English descriptors
- KwdEn :
Abstract
We have applied the full potential linearized augmented plane wave method (FP-LAPW) within the density functional theory to investigate the structural and electronic properties of the Sc0.5In0.5N compound in the wurtzite and sodium chloride structures. We have analyzed the relative stability of this ternary compound in the two studied phases. We found that the wurtzite structure is the most stable phase, with the minimum ∼0.14 eV/(unit cell) lower than in the sodium chloride phase. A phase transition from wurtzite to sodium chloride structure was observed, with transition pressure ∼ 1.9 GPa. Our results predict a direct semiconductor in wurtzite structure and an indirect semiconductor in sodium chloride phase. We investigate the pressure effect on the electronic properties of this ternary compound in the two phases studied.
Links toward previous steps (curation, corpus...)
- to stream Main, to step Corpus: 005946
Links to Exploration step
Pascal:09-0162005Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Pressure effect on electronic properties of Sc<sub>0.5</sub>In<sub>0.5</sub>N compound</title><author><name sortKey="Lopez Perez, William" uniqKey="Lopez Perez W">William Lopez Perez</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Departamento de Física, Universidad del Norte</s1><s2>A. A. 1569, Barranquilla</s2><s3>COL</s3><sZ>1 aut.</sZ></inist:fA14><country>Colombie</country><wicri:noRegion>A. A. 1569, Barranquilla</wicri:noRegion></affiliation></author><author><name sortKey="Rodriguez M, Jairo Arbey" uniqKey="Rodriguez M J">Jairo Arbey Rodriguez M</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Departamento de Física, Universidad Nacional de Colombia</s1><s2>A. A. 5997, Bogotá</s2><s3>COL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Colombie</country><wicri:noRegion>A. A. 5997, Bogotá</wicri:noRegion></affiliation></author><author><name sortKey="Gonzalez, Rafael" uniqKey="Gonzalez R">Rafael Gonzalez</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Departamento de Física, Universidad Nacional de Colombia</s1><s2>A. A. 5997, Bogotá</s2><s3>COL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Colombie</country><wicri:noRegion>A. A. 5997, Bogotá</wicri:noRegion></affiliation></author><author><name sortKey="Fajardo, Fabio" uniqKey="Fajardo F">Fabio Fajardo</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Departamento de Física, Universidad Nacional de Colombia</s1><s2>A. A. 5997, Bogotá</s2><s3>COL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Colombie</country><wicri:noRegion>A. A. 5997, Bogotá</wicri:noRegion></affiliation></author><author><name sortKey="Mancera, Luis" uniqKey="Mancera L">Luis Mancera</name><affiliation wicri:level="4"><inist:fA14 i1="03"><s1>Nachwuchsgruppe Theorie, University of Ulm</s1><s3>DEU</s3><sZ>5 aut.</sZ></inist:fA14><country>Allemagne</country><placeName><settlement type="city">Ulm</settlement><region type="land" nuts="1">Bade-Wurtemberg</region><region type="district" nuts="2">District de Tübingen</region></placeName><orgName type="university">Université d'Ulm</orgName></affiliation></author></titleStmt><publicationStmt><idno type="inist">09-0162005</idno><date when="2009">2009</date><idno type="stanalyst">PASCAL 09-0162005 INIST</idno><idno type="RBID">Pascal:09-0162005</idno><idno type="wicri:Area/Main/Corpus">005946</idno><idno type="wicri:Area/Main/Repository">004D36</idno></publicationStmt><seriesStmt><idno type="ISSN">0370-1972</idno><title level="j" type="abbreviated">Phys. status solidi, B, Basic res.</title><title level="j" type="main">Physica status solidi. B. Basic research</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>APW calculations</term><term>Band structure</term><term>Density functional method</term><term>Electronic structure</term><term>High pressure</term><term>Indium Scandium Nitrides Mixed</term><term>NaCl structure</term><term>Phase transformations</term><term>Pressure effects</term><term>Semiconductor materials</term><term>Wurtzite structure</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Effet pression</term><term>Structure électronique</term><term>Calcul APW</term><term>Méthode fonctionnelle densité</term><term>Transformation phase</term><term>Haute pression</term><term>Structure bande</term><term>Indium Scandium Nitrure Mixte</term><term>Structure NaCl</term><term>Structure wurtzite</term><term>Semiconducteur</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">We have applied the full potential linearized augmented plane wave method (FP-LAPW) within the density functional theory to investigate the structural and electronic properties of the Sc<sub>0.5</sub>In<sub>0.5</sub>N compound in the wurtzite and sodium chloride structures. We have analyzed the relative stability of this ternary compound in the two studied phases. We found that the wurtzite structure is the most stable phase, with the minimum ∼0.14 eV/(unit cell) lower than in the sodium chloride phase. A phase transition from wurtzite to sodium chloride structure was observed, with transition pressure ∼ 1.9 GPa. Our results predict a direct semiconductor in wurtzite structure and an indirect semiconductor in sodium chloride phase. We investigate the pressure effect on the electronic properties of this ternary compound in the two phases studied.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0370-1972</s0></fA01><fA02 i1="01"><s0>PSSBBD</s0></fA02><fA03 i2="1"><s0>Phys. status solidi, B, Basic res.</s0></fA03><fA05><s2>246</s2></fA05><fA06><s2>3</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Pressure effect on electronic properties of Sc<sub>0.5</sub>In<sub>0.5</sub>N compound</s1></fA08><fA09 i1="01" i2="1" l="ENG"><s1>High Pressure Semiconductor Physics</s1></fA09><fA11 i1="01" i2="1"><s1>LOPEZ PEREZ (William)</s1></fA11><fA11 i1="02" i2="1"><s1>RODRIGUEZ M (Jairo Arbey)</s1></fA11><fA11 i1="03" i2="1"><s1>GONZALEZ (Rafael)</s1></fA11><fA11 i1="04" i2="1"><s1>FAJARDO (Fabio)</s1></fA11><fA11 i1="05" i2="1"><s1>MANCERA (Luis)</s1></fA11><fA12 i1="01" i2="1"><s1>CHANDRASEKHAR (Meera)</s1><s9>ed.</s9></fA12><fA12 i1="02" i2="1"><s1>CERDEIRA (Fernando)</s1><s9>ed.</s9></fA12><fA12 i1="03" i2="1"><s1>LEMOS (Volia)</s1><s9>ed.</s9></fA12><fA14 i1="01"><s1>Departamento de Física, Universidad del Norte</s1><s2>A. A. 1569, Barranquilla</s2><s3>COL</s3><sZ>1 aut.</sZ></fA14><fA14 i1="02"><s1>Departamento de Física, Universidad Nacional de Colombia</s1><s2>A. A. 5997, Bogotá</s2><s3>COL</s3><sZ>2 aut.</sZ><sZ>3 aut.</sZ><sZ>4 aut.</sZ></fA14><fA14 i1="03"><s1>Nachwuchsgruppe Theorie, University of Ulm</s1><s3>DEU</s3><sZ>5 aut.</sZ></fA14><fA15 i1="01"><s1>University of Missouri</s1><s3>USA</s3><sZ>1 aut.</sZ></fA15><fA15 i1="02"><s1>Universidade Estadual de Campinas</s1><s3>BRA</s3><sZ>2 aut.</sZ></fA15><fA15 i1="03"><s1>Universidade Federal do Ceará</s1><s3>BRA</s3><sZ>3 aut.</sZ></fA15><fA20><s1>594-598</s1></fA20><fA21><s1>2009</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>10183B</s2><s5>354000186942330270</s5></fA43><fA44><s0>0000</s0><s1>© 2009 INIST-CNRS. All rights reserved.</s1></fA44><fA45><s0>21 ref.</s0></fA45><fA47 i1="01" i2="1"><s0>09-0162005</s0></fA47><fA60><s1>P</s1><s2>C</s2></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Physica status solidi. B. Basic research</s0></fA64><fA66 i1="01"><s0>DEU</s0></fA66><fC01 i1="01" l="ENG"><s0>We have applied the full potential linearized augmented plane wave method (FP-LAPW) within the density functional theory to investigate the structural and electronic properties of the Sc<sub>0.5</sub>In<sub>0.5</sub>N compound in the wurtzite and sodium chloride structures. We have analyzed the relative stability of this ternary compound in the two studied phases. We found that the wurtzite structure is the most stable phase, with the minimum ∼0.14 eV/(unit cell) lower than in the sodium chloride phase. A phase transition from wurtzite to sodium chloride structure was observed, with transition pressure ∼ 1.9 GPa. Our results predict a direct semiconductor in wurtzite structure and an indirect semiconductor in sodium chloride phase. We investigate the pressure effect on the electronic properties of this ternary compound in the two phases studied.</s0></fC01><fC02 i1="01" i2="3"><s0>001B70A20P</s0></fC02><fC03 i1="01" i2="3" l="FRE"><s0>Effet pression</s0><s5>02</s5></fC03><fC03 i1="01" i2="3" l="ENG"><s0>Pressure effects</s0><s5>02</s5></fC03><fC03 i1="02" i2="3" l="FRE"><s0>Structure électronique</s0><s5>03</s5></fC03><fC03 i1="02" i2="3" l="ENG"><s0>Electronic structure</s0><s5>03</s5></fC03><fC03 i1="03" i2="3" l="FRE"><s0>Calcul APW</s0><s5>04</s5></fC03><fC03 i1="03" i2="3" l="ENG"><s0>APW calculations</s0><s5>04</s5></fC03><fC03 i1="04" i2="3" l="FRE"><s0>Méthode fonctionnelle densité</s0><s5>05</s5></fC03><fC03 i1="04" i2="3" l="ENG"><s0>Density functional method</s0><s5>05</s5></fC03><fC03 i1="05" i2="3" l="FRE"><s0>Transformation phase</s0><s5>06</s5></fC03><fC03 i1="05" i2="3" l="ENG"><s0>Phase transformations</s0><s5>06</s5></fC03><fC03 i1="06" i2="3" l="FRE"><s0>Haute pression</s0><s5>07</s5></fC03><fC03 i1="06" i2="3" l="ENG"><s0>High pressure</s0><s5>07</s5></fC03><fC03 i1="07" i2="3" l="FRE"><s0>Structure bande</s0><s5>08</s5></fC03><fC03 i1="07" i2="3" l="ENG"><s0>Band structure</s0><s5>08</s5></fC03><fC03 i1="08" i2="X" l="FRE"><s0>Indium Scandium Nitrure Mixte</s0><s2>NC</s2><s2>NA</s2><s5>11</s5></fC03><fC03 i1="08" i2="X" l="ENG"><s0>Indium Scandium Nitrides Mixed</s0><s2>NC</s2><s2>NA</s2><s5>11</s5></fC03><fC03 i1="08" i2="X" l="SPA"><s0>Mixto</s0><s2>NC</s2><s2>NA</s2><s5>11</s5></fC03><fC03 i1="09" i2="X" l="FRE"><s0>Structure NaCl</s0><s5>15</s5></fC03><fC03 i1="09" i2="X" l="ENG"><s0>NaCl structure</s0><s5>15</s5></fC03><fC03 i1="09" i2="X" l="SPA"><s0>Estructura NaCl</s0><s5>15</s5></fC03><fC03 i1="10" i2="X" l="FRE"><s0>Structure wurtzite</s0><s5>16</s5></fC03><fC03 i1="10" i2="X" l="ENG"><s0>Wurtzite structure</s0><s5>16</s5></fC03><fC03 i1="10" i2="X" l="SPA"><s0>Estructura wurtzita</s0><s5>16</s5></fC03><fC03 i1="11" i2="3" l="FRE"><s0>Semiconducteur</s0><s5>17</s5></fC03><fC03 i1="11" i2="3" l="ENG"><s0>Semiconductor materials</s0><s5>17</s5></fC03><fN21><s1>117</s1></fN21></pA><pR><fA30 i1="01" i2="1" l="ENG"><s1>International Conference on High Pressure (HPSP)</s1><s2>13</s2><s3>Fortaleza, Ceará BRA</s3><s4>2008-07-22</s4></fA30></pR></standard></inist></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=IndiumV3/Data/Main/Repository
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 004D36 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Repository/biblio.hfd -nk 004D36 | 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:09-0162005
|texte= Pressure effect on electronic properties of Sc0.5In0.5N compound
}}
| This area was generated with Dilib version V0.5.77. |  |