Electronic states in valence and conduction bands of group-III nitrides: Experiment and theory
Identifieur interne : 011F24 ( Main/Repository ); précédent : 011F23; suivant : 011F25Electronic states in valence and conduction bands of group-III nitrides: Experiment and theory
Auteurs : RBID : Pascal:00-0291346Descripteurs français
- Pascal (Inist)
- 7155E, 7870D, 7870E, Etude expérimentale, Etude théorique, Aluminium nitrure, Gallium nitrure, Indium nitrure, Bore nitrure, Structure électronique, Analyse émission RX, Spectre absorption, Rayonnement synchrotron, Liaison chimique, Anisotropie, Densité niveau énergie, Aluminium composé, Gallium composé, Indium composé, Bore composé, Semiconducteur III-V, Semiconducteur bande interdite large, Bande valence, Bande conduction, Spectre émission RX, Spectre absorption RX, Calcul ab initio, Densité état électron, Niveau coeur.
English descriptors
- KwdEn :
- Ab initio calculations, Absorption spectra, Aluminium compounds, Aluminium nitrides, Anisotropy, Boron compounds, Boron nitrides, Chemical bonds, Conduction bands, Core levels, Electronic density of states, Electronic structure, Energy-level density, Experimental study, Gallium compounds, Gallium nitrides, III-V semiconductors, Indium compounds, Indium nitrides, Synchrotron radiation, Theoretical study, Valence bands, Wide band gap semiconductors, X-ray absorption spectra, X-ray emission analysis, X-ray emission spectra.
Abstract
A comprehensive study of the electronic structure of group-III nitrides (AlN, GaN, InN, and BN) crystallizing in the wurtzite, zinc-blende, and graphitelike hexagonal (BN) structures is presented. A large set of the x-ray emission and absorption spectra was collected at the several synchrotron radiation facilities at installations offering the highest possible energy resolution. By taking advantage of the linear polarization of the synchrotron radiation and making careful crystallographic orientation of the samples, the bonds along c axis (π) and in plane (σ) in the wurtzite structure could be separately examined. Particularly for AlN we found pronounced anisotropy of the studied bonds. The experimental spectra are compared directly with ab initio calculations of the partial density of states projected on the cation and anion atomic sites. For the GaN, AlN, and InN the agreement between structures observed in the calculated density of states (DOS) and structures observed in the experimental spectra is very good. In the case of hexagonal BN we have found an important influence of insufficient core screening in the x-ray spectra that influences the DOS distribution. The ionicity of the considered nitrides is also discussed.
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Lotnikow 32/46, 02 668 Warsaw</wicri:regionArea><wicri:noRegion>02 668 Warsaw</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Institute of Physics and Astronomy, Aarhus University, C8000 Aarhus, Denmark</s1></inist:fA14><country xml:lang="fr">Danemark</country><wicri:regionArea>Institute of Physics and Astronomy, Aarhus University, C8000 Aarhus</wicri:regionArea><wicri:noRegion>C8000 Aarhus</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>HASYLAB, DESY, Notkestrasse 85, 22603 Hamburg, Germany</s1></inist:fA14><country xml:lang="fr">Allemagne</country><wicri:regionArea>HASYLAB, DESY, Notkestrasse 85, 22603 Hamburg</wicri:regionArea><wicri:noRegion>22603 Hamburg</wicri:noRegion><wicri:noRegion>22603 Hamburg</wicri:noRegion></affiliation><affiliation wicri:level="2"><inist:fA14 i1="06"><s1>Tulane University, New Orleans, Louisiana 70118</s1></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Louisiane</region></placeName><wicri:cityArea>Tulane University, New Orleans</wicri:cityArea></affiliation><affiliation><inist:fA14 i1="07"><s1>Lawrence Berkeley National Laboratory, MIS 6212031 Berkeley, California94720</s1> </inist:fA14></affiliation></author><author><name sortKey="Suski, T" uniqKey="Suski T">T. Suski</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>High Pressure Research Center, Polish Academy of Sciences, ulica Sokolowska 29/37, 01 142 Warsaw, Poland</s1><sZ>2 aut.</sZ><sZ>3 aut.</sZ></inist:fA14><country xml:lang="fr">Pologne</country><wicri:regionArea>High Pressure Research Center, Polish Academy of Sciences, ulica Sokolowska 29/37, 01 142 Warsaw</wicri:regionArea><wicri:noRegion>01 142 Warsaw</wicri:noRegion></affiliation></author><author><name sortKey="Gorczyca, I" uniqKey="Gorczyca I">I. Gorczyca</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>High Pressure Research Center, Polish Academy of Sciences, ulica Sokolowska 29/37, 01 142 Warsaw, Poland</s1><sZ>2 aut.</sZ><sZ>3 aut.</sZ></inist:fA14><country xml:lang="fr">Pologne</country><wicri:regionArea>High Pressure Research Center, Polish Academy of Sciences, ulica Sokolowska 29/37, 01 142 Warsaw</wicri:regionArea><wicri:noRegion>01 142 Warsaw</wicri:noRegion></affiliation></author><author><name sortKey="Christensen, N E" uniqKey="Christensen N">N. E. Christensen</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw, Poland</s1><sZ>1 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ></inist:fA14><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw</wicri:regionArea><wicri:noRegion>02 668 Warsaw</wicri:noRegion></affiliation></author><author><name sortKey="Attenkofer, K E" uniqKey="Attenkofer K">K. E. Attenkofer</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw, Poland</s1><sZ>1 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ></inist:fA14><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw</wicri:regionArea><wicri:noRegion>02 668 Warsaw</wicri:noRegion></affiliation></author><author><name sortKey="Perera, R C C" uniqKey="Perera R">R. C. C. Perera</name></author><author><name sortKey="Gullikson, E M" uniqKey="Gullikson E">E. M. Gullikson</name></author><author><name sortKey="Underwood, J H" uniqKey="Underwood J">J. H. Underwood</name></author><author><name sortKey="Ederer, D L" uniqKey="Ederer D">D. L. Ederer</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw, Poland</s1><sZ>1 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ></inist:fA14><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw</wicri:regionArea><wicri:noRegion>02 668 Warsaw</wicri:noRegion></affiliation></author><author><name sortKey="Liliental Weber, Z" uniqKey="Liliental Weber Z">Z. Liliental Weber</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw, Poland</s1><sZ>1 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ></inist:fA14><country xml:lang="fr">Pologne</country><wicri:regionArea>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw</wicri:regionArea><wicri:noRegion>02 668 Warsaw</wicri:noRegion></affiliation></author></titleStmt><publicationStmt><idno type="inist">00-0291346</idno><date when="2000-06-15">2000-06-15</date><idno type="stanalyst">PASCAL 00-0291346 AIP</idno><idno type="RBID">Pascal:00-0291346</idno><idno type="wicri:Area/Main/Corpus">012D81</idno><idno type="wicri:Area/Main/Repository">011F24</idno></publicationStmt><seriesStmt><idno type="ISSN">0163-1829</idno><title level="j" type="abbreviated">Phys. rev., B, Condens. matter</title><title level="j" type="main">Physical review. B, Condensed matter</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term><term>Absorption spectra</term><term>Aluminium compounds</term><term>Aluminium nitrides</term><term>Anisotropy</term><term>Boron compounds</term><term>Boron nitrides</term><term>Chemical bonds</term><term>Conduction bands</term><term>Core levels</term><term>Electronic density of states</term><term>Electronic structure</term><term>Energy-level density</term><term>Experimental study</term><term>Gallium compounds</term><term>Gallium nitrides</term><term>III-V semiconductors</term><term>Indium compounds</term><term>Indium nitrides</term><term>Synchrotron radiation</term><term>Theoretical study</term><term>Valence bands</term><term>Wide band gap semiconductors</term><term>X-ray absorption spectra</term><term>X-ray emission analysis</term><term>X-ray emission spectra</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>7155E</term><term>7870D</term><term>7870E</term><term>Etude expérimentale</term><term>Etude théorique</term><term>Aluminium nitrure</term><term>Gallium nitrure</term><term>Indium nitrure</term><term>Bore nitrure</term><term>Structure électronique</term><term>Analyse émission RX</term><term>Spectre absorption</term><term>Rayonnement synchrotron</term><term>Liaison chimique</term><term>Anisotropie</term><term>Densité niveau énergie</term><term>Aluminium composé</term><term>Gallium composé</term><term>Indium composé</term><term>Bore composé</term><term>Semiconducteur III-V</term><term>Semiconducteur bande interdite large</term><term>Bande valence</term><term>Bande conduction</term><term>Spectre émission RX</term><term>Spectre absorption RX</term><term>Calcul ab initio</term><term>Densité état électron</term><term>Niveau coeur</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">A comprehensive study of the electronic structure of group-III nitrides (AlN, GaN, InN, and BN) crystallizing in the wurtzite, zinc-blende, and graphitelike hexagonal (BN) structures is presented. A large set of the x-ray emission and absorption spectra was collected at the several synchrotron radiation facilities at installations offering the highest possible energy resolution. By taking advantage of the linear polarization of the synchrotron radiation and making careful crystallographic orientation of the samples, the bonds along c axis (π) and in plane (σ) in the wurtzite structure could be separately examined. Particularly for AlN we found pronounced anisotropy of the studied bonds. The experimental spectra are compared directly with ab initio calculations of the partial density of states projected on the cation and anion atomic sites. For the GaN, AlN, and InN the agreement between structures observed in the calculated density of states (DOS) and structures observed in the experimental spectra is very good. In the case of hexagonal BN we have found an important influence of insufficient core screening in the x-ray spectra that influences the DOS distribution. The ionicity of the considered nitrides is also discussed.</div></front></TEI><inist><standard h6="B"><pA><fA01 i1="01" i2="1"><s0>0163-1829</s0></fA01><fA02 i1="01"><s0>PRBMDO</s0></fA02><fA03 i2="1"><s0>Phys. rev., B, Condens. matter</s0></fA03><fA05><s2>61</s2></fA05><fA06><s2>24</s2></fA06><fA08 i1="01" i2="1" l="ENG"><s1>Electronic states in valence and conduction bands of group-III nitrides: Experiment and theory</s1></fA08><fA11 i1="01" i2="1"><s1>LAWNICZAK JABLONSKA (K.)</s1></fA11><fA11 i1="02" i2="1"><s1>SUSKI (T.)</s1></fA11><fA11 i1="03" i2="1"><s1>GORCZYCA (I.)</s1></fA11><fA11 i1="04" i2="1"><s1>CHRISTENSEN (N. E.)</s1></fA11><fA11 i1="05" i2="1"><s1>ATTENKOFER (K. E.)</s1></fA11><fA11 i1="06" i2="1"><s1>PERERA (R. C. C.)</s1></fA11><fA11 i1="07" i2="1"><s1>GULLIKSON (E. M.)</s1></fA11><fA11 i1="08" i2="1"><s1>UNDERWOOD (J. H.)</s1></fA11><fA11 i1="09" i2="1"><s1>EDERER (D. L.)</s1></fA11><fA11 i1="10" i2="1"><s1>LILIENTAL WEBER (Z.)</s1></fA11><fA14 i1="01"><s1>Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02 668 Warsaw, Poland</s1><sZ>1 aut.</sZ><sZ>4 aut.</sZ><sZ>5 aut.</sZ><sZ>9 aut.</sZ><sZ>10 aut.</sZ></fA14><fA14 i1="02"><s1>High Pressure Research Center, Polish Academy of Sciences, ulica Sokolowska 29/37, 01 142 Warsaw, Poland</s1><sZ>2 aut.</sZ><sZ>3 aut.</sZ></fA14><fA14 i1="03"><s1>Institute of Physics and Astronomy, Aarhus University, C8000 Aarhus, Denmark</s1></fA14><fA14 i1="04"><s1>HASYLAB, DESY, Notkestrasse 85, 22603 Hamburg, Germany</s1></fA14><fA14 i1="05"><s1>Center for X-ray Optics, Lawrence Berkeley National Laboratory, Berkeley, California 94720</s1><sZ>6 aut.</sZ><sZ>7 aut.</sZ><sZ>8 aut.</sZ></fA14><fA14 i1="06"><s1>Tulane University, New Orleans, Louisiana 70118</s1></fA14><fA14 i1="07"><s1>Lawrence Berkeley National Laboratory, MIS 6212031 Berkeley, California94720</s1> </fA14><fA20><s1>16623-16632</s1></fA20><fA21><s1>2000-06-15</s1></fA21><fA23 i1="01"><s0>ENG</s0></fA23><fA43 i1="01"><s1>INIST</s1><s2>144 B</s2></fA43><fA44><s0>8100</s0><s1>© 2000 American Institute of Physics. All rights reserved.</s1></fA44><fA47 i1="01" i2="1"><s0>00-0291346</s0></fA47><fA60><s1>P</s1></fA60><fA61><s0>A</s0></fA61><fA64 i1="01" i2="1"><s0>Physical review. B, Condensed matter</s0></fA64><fA66 i1="01"><s0>USA</s0></fA66><fC01 i1="01" l="ENG"><s0>A comprehensive study of the electronic structure of group-III nitrides (AlN, GaN, InN, and BN) crystallizing in the wurtzite, zinc-blende, and graphitelike hexagonal (BN) structures is presented. A large set of the x-ray emission and absorption spectra was collected at the several synchrotron radiation facilities at installations offering the highest possible energy resolution. By taking advantage of the linear polarization of the synchrotron radiation and making careful crystallographic orientation of the samples, the bonds along c axis (π) and in plane (σ) in the wurtzite structure could be separately examined. Particularly for AlN we found pronounced anisotropy of the studied bonds. The experimental spectra are compared directly with ab initio calculations of the partial density of states projected on the cation and anion atomic sites. For the GaN, AlN, and InN the agreement between structures observed in the calculated density of states (DOS) and structures observed in the experimental spectra is very good. In the case of hexagonal BN we have found an important influence of insufficient core screening in the x-ray spectra that influences the DOS distribution. The ionicity of the considered nitrides is also discussed.</s0></fC01><fC02 i1="01" i2="3"><s0>001B70A55E</s0></fC02><fC02 i1="02" i2="3"><s0>001B70H70D</s0></fC02><fC02 i1="03" i2="3"><s0>001B70H70E</s0></fC02><fC03 i1="01" i2="3" l="FRE"><s0>7155E</s0><s2>PAC</s2><s4>INC</s4></fC03><fC03 i1="02" i2="3" l="FRE"><s0>7870D</s0><s2>PAC</s2><s4>INC</s4></fC03><fC03 i1="03" i2="3" l="FRE"><s0>7870E</s0><s2>PAC</s2><s4>INC</s4></fC03><fC03 i1="04" i2="3" l="FRE"><s0>Etude expérimentale</s0></fC03><fC03 i1="04" i2="3" l="ENG"><s0>Experimental study</s0></fC03><fC03 i1="05" i2="3" l="FRE"><s0>Etude théorique</s0></fC03><fC03 i1="05" i2="3" l="ENG"><s0>Theoretical study</s0></fC03><fC03 i1="06" i2="3" l="FRE"><s0>Aluminium nitrure</s0><s2>NK</s2></fC03><fC03 i1="06" i2="3" l="ENG"><s0>Aluminium nitrides</s0><s2>NK</s2></fC03><fC03 i1="07" i2="3" l="FRE"><s0>Gallium nitrure</s0><s2>NK</s2></fC03><fC03 i1="07" i2="3" l="ENG"><s0>Gallium nitrides</s0><s2>NK</s2></fC03><fC03 i1="08" i2="3" l="FRE"><s0>Indium nitrure</s0><s2>NK</s2></fC03><fC03 i1="08" i2="3" l="ENG"><s0>Indium nitrides</s0><s2>NK</s2></fC03><fC03 i1="09" i2="3" l="FRE"><s0>Bore nitrure</s0><s2>NK</s2></fC03><fC03 i1="09" i2="3" l="ENG"><s0>Boron nitrides</s0><s2>NK</s2></fC03><fC03 i1="10" i2="3" l="FRE"><s0>Structure électronique</s0></fC03><fC03 i1="10" i2="3" l="ENG"><s0>Electronic structure</s0></fC03><fC03 i1="11" i2="3" l="FRE"><s0>Analyse émission RX</s0></fC03><fC03 i1="11" i2="3" l="ENG"><s0>X-ray emission analysis</s0></fC03><fC03 i1="12" i2="3" l="FRE"><s0>Spectre absorption</s0></fC03><fC03 i1="12" i2="3" l="ENG"><s0>Absorption spectra</s0></fC03><fC03 i1="13" i2="3" l="FRE"><s0>Rayonnement synchrotron</s0></fC03><fC03 i1="13" i2="3" l="ENG"><s0>Synchrotron radiation</s0></fC03><fC03 i1="14" i2="3" l="FRE"><s0>Liaison chimique</s0></fC03><fC03 i1="14" i2="3" l="ENG"><s0>Chemical bonds</s0></fC03><fC03 i1="15" i2="3" l="FRE"><s0>Anisotropie</s0></fC03><fC03 i1="15" i2="3" l="ENG"><s0>Anisotropy</s0></fC03><fC03 i1="16" i2="3" l="FRE"><s0>Densité niveau énergie</s0></fC03><fC03 i1="16" i2="3" l="ENG"><s0>Energy-level density</s0></fC03><fC03 i1="17" i2="3" l="FRE"><s0>Aluminium composé</s0></fC03><fC03 i1="17" i2="3" l="ENG"><s0>Aluminium compounds</s0></fC03><fC03 i1="18" i2="3" l="FRE"><s0>Gallium composé</s0></fC03><fC03 i1="18" i2="3" l="ENG"><s0>Gallium compounds</s0></fC03><fC03 i1="19" i2="3" l="FRE"><s0>Indium composé</s0></fC03><fC03 i1="19" i2="3" l="ENG"><s0>Indium compounds</s0></fC03><fC03 i1="20" i2="3" l="FRE"><s0>Bore composé</s0></fC03><fC03 i1="20" i2="3" l="ENG"><s0>Boron compounds</s0></fC03><fC03 i1="21" i2="3" l="FRE"><s0>Semiconducteur III-V</s0></fC03><fC03 i1="21" i2="3" l="ENG"><s0>III-V semiconductors</s0></fC03><fC03 i1="22" i2="3" l="FRE"><s0>Semiconducteur bande interdite large</s0></fC03><fC03 i1="22" i2="3" l="ENG"><s0>Wide band gap semiconductors</s0></fC03><fC03 i1="23" i2="3" l="FRE"><s0>Bande valence</s0></fC03><fC03 i1="23" i2="3" l="ENG"><s0>Valence bands</s0></fC03><fC03 i1="24" i2="3" l="FRE"><s0>Bande conduction</s0></fC03><fC03 i1="24" i2="3" l="ENG"><s0>Conduction bands</s0></fC03><fC03 i1="25" i2="3" l="FRE"><s0>Spectre émission RX</s0></fC03><fC03 i1="25" i2="3" l="ENG"><s0>X-ray emission spectra</s0></fC03><fC03 i1="26" i2="3" l="FRE"><s0>Spectre absorption RX</s0></fC03><fC03 i1="26" i2="3" l="ENG"><s0>X-ray absorption spectra</s0></fC03><fC03 i1="27" i2="3" l="FRE"><s0>Calcul ab initio</s0></fC03><fC03 i1="27" i2="3" l="ENG"><s0>Ab initio calculations</s0></fC03><fC03 i1="28" i2="3" l="FRE"><s0>Densité état électron</s0></fC03><fC03 i1="28" i2="3" l="ENG"><s0>Electronic density of states</s0></fC03><fC03 i1="29" i2="3" l="FRE"><s0>Niveau coeur</s0></fC03><fC03 i1="29" i2="3" l="ENG"><s0>Core levels</s0></fC03><fN21><s1>192</s1></fN21><fN47 i1="01" i2="1"><s0>0025M000768</s0></fN47></pA></standard></inist></record>Pour manipuler ce document sous Unix (Dilib)
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