Volume and composition dependence of direct and indirect band gaps in ordered ternary III-V semiconductor compounds: A screened-exchange LDA study

S. Picozzi, A. Continenza, R. Asahi, W. Mannstadt, Arthur J Freeman

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Quasiparticle electronic band structures for ternary InGaAs and InGaSb systems, modeled by a luzonite structure, have been obtained using the screened-exchange local-density approximation approach. We focus our attention on energy transitions relevant for the electron-hole pair lifetime and, in particular, on the direct (Formula presented) and lowest indirect (Formula presented) band gaps as a function of volume, common anionic species, and composition. All these degrees of freedom can be used to tune the transitions considered: as a first result, a large range of band gaps (almost 1 eV) can be obtained by varying the lattice constants within a few percent with respect to their equilibrium values. Moreover, the lowest indirect transition can be strongly reduced by replacing As with Sb. Finally, the composition dependence of these transitions shows that, due to symmetry properties of the potential in ternary luzonites, In-rich systems have the smallest indirect band gaps of all compounds investigated in this work.

Original languageEnglish
Pages (from-to)4677-4684
Number of pages8
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume61
Issue number7
DOIs
Publication statusPublished - Jan 1 2000

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Energy gap
Chemical analysis
Local density approximation
Electron transitions
Band structure
Lattice constants
Electrons
degrees of freedom
life (durability)
III-V semiconductors
symmetry
approximation
electronics
energy

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Volume and composition dependence of direct and indirect band gaps in ordered ternary III-V semiconductor compounds : A screened-exchange LDA study. / Picozzi, S.; Continenza, A.; Asahi, R.; Mannstadt, W.; Freeman, Arthur J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 61, No. 7, 01.01.2000, p. 4677-4684.

Research output: Contribution to journalArticle

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