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Electronic band parameters for zinc-blende Al1−xGaxN

A Bhouri, F Ben Zid, H Mejri, A Ben Fredj, N Bouarissa1 and M Said

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Band-structure calculations are performed for cubic Al1−xGaxN using the empirical pseudopotential method. The band gaps at Γ, X and L points and the electron effective masses of Γ and X valleys are calculated as a function of the gallium fraction x. It is found that there is no significant change in these electronic band parameters on taking into account the alloy disorder. On the basis of a model solid theory, we have calculated the band discontinuities for heterointerfaces between strained Al1 −xGaxN and relaxed Al1−yGayN. The latter calculations are extended to the whole range of compositions x and y. The information derived from this investigation will be useful in the design of lattice-mismatched heterostructures in blue-light optoelectronics applications.


PACS

71.15.Dx Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)

71.18.+y Fermi surface: calculations and measurements; effective mass, g factor

71.20.Nr Semiconductor compounds

Subjects

Condensed matter: electrical, magnetic and optical

Semiconductors

Dates

Issue 29 (29 July 2002)

Received 6 February 2002, in final form 29 May 2002

Published 11 July 2002



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