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Pressure and composition dependence of the electron effective mass in GaAs 1– x N x
Author(s) -
Gorczyca I.,
Christensen N. E.,
Svane A.
Publication year - 2006
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200565315
Subject(s) - supercell , effective mass (spring–mass system) , hydrostatic pressure , conduction band , electron , condensed matter physics , electronic band structure , ab initio , thermal conduction , chemistry , ab initio quantum chemistry methods , anisotropy , materials science , physics , thermodynamics , thunderstorm , organic chemistry , quantum mechanics , molecule , meteorology , composite material
The electronic band structures of GaAs 1– x N x alloys are calculated ab initio using a supercell approach in connection with the full‐potential linear muffin‐tin‐orbital method. Alloying GaAs with small amounts of GaN modifies substantially the conduction bands. The lowest conduction band exhibits a strong nonparabolicity, which is reflected in the dependence of the electron effective mass on the k ‐vector. The calculations indicate that for x above 0.01 the alloys have electron effective masses, which are significantly larger than that of pure GaAs. In addition, the effective mass decreases with x . Hydrostatic pressure is found to strongly influence the electron effective masses. The pressure coefficient of the mass at the conduction band minimum varies non‐linearly with x . (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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