Full-zone kp method of band structure calculation for wurtzite semiconductors
Identifieur interne : 00A427 ( Main/Repository ); précédent : 00A426; suivant : 00A428Full-zone kp method of band structure calculation for wurtzite semiconductors
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Abstract
The full-zone kp method of band structure calculation is extended to crystals of wurtzite structure, point group C6v. The form of the momentum matrix elements as allowed by symmetry is deduced and used to model the dispersion relations throughout the Brillouin zone for AlN, GaN, and InN. By means of a fitting procedure that refers to an empirical pseudopotential calculation of the eigenvalues at selected high-symmetry points, a truncated basis set of 23 states is derived that enables realistic representation of the first ten states, with the remainder serving to encompass all of the deleted remote-band interactions. The result is a relatively small-dimension effective Hamiltonian suitable for full-zone envelope-function applications. © 2004 American Institute of Physics.
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Beresford</name><affiliation wicri:level="2"><inist:fA14 i1="01"><s1>Division of Engineering, Box D, Brown University, Providence, Rhode Island 02912</s1><sZ>1 aut.</sZ></inist:fA14><country xml:lang="fr">États-Unis</country><placeName><region type="state">Rhode Island</region></placeName><wicri:cityArea>Division of Engineering, Box D, Brown University, Providence</wicri:cityArea></affiliation></author></titleStmt><publicationStmt><idno type="inist">04-0242513</idno><date when="2004-06-01">2004-06-01</date><idno type="stanalyst">PASCAL 04-0242513 AIP</idno><idno type="RBID">Pascal:04-0242513</idno><idno type="wicri:Area/Main/Corpus">00B712</idno><idno type="wicri:Area/Main/Repository">00A427</idno></publicationStmt><seriesStmt><idno type="ISSN">0021-8979</idno><title level="j" type="abbreviated">J. appl. phys.</title><title level="j" type="main">Journal of applied physics</title></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Aluminium compounds</term><term>Brillouin zones</term><term>Dispersion relations</term><term>Gallium compounds</term><term>III-V semiconductors</term><term>Indium compounds</term><term>Measuring methods</term><term>Pseudopotential methods</term><term>Theoretical study</term><term>Wide band gap semiconductors</term><term>k.p calculations</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>7120N</term><term>7115D</term><term>Etude théorique</term><term>Méthode mesure</term><term>Aluminium composé</term><term>Gallium composé</term><term>Indium composé</term><term>Semiconducteur III-V</term><term>Semiconducteur bande interdite large</term><term>Zone Brillouin</term><term>Méthode pseudopotentiel</term><term>Calcul k.p</term><term>Relation dispersion</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The full-zone kp method of band structure calculation is extended to crystals of wurtzite structure, point group C<sub>6v</sub>. The form of the momentum matrix elements as allowed by symmetry is deduced and used to model the dispersion relations throughout the Brillouin zone for AlN, GaN, and InN. By means of a fitting procedure that refers to an empirical pseudopotential calculation of the eigenvalues at selected high-symmetry points, a truncated basis set of 23 states is derived that enables realistic representation of the first ten states, with the remainder serving to encompass all of the deleted remote-band interactions. 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