Structural and electronic properties of narrow-band-gap semiconductors: InP, InAs, and InSb

S. Massidda*, A. Continenza, A. J. Freeman, T. M. De Pascale, F. Meloni, M. Serra

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

75 Scopus citations

Abstract

The structural and electronic properties of the narrow-band-gap zinc-blende-structure III-V semiconductors InP, InAs, and InSb are studied with two first-principles schemes: the full-potential linear augmented-plane-wave (FLAPW) method and ab initio norm-conserving pseudopotentials. The all-electron equilibrium properties are found to be in excellent agreement with experiment; a comparison between the FLAPW and pseudopotential results emphasizes the role of the shallow semicore In 4d states for both the structural and electronic properties of these compounds. Our results also show that, within the local-density approximation, InAs and InSb have metallic character, while InP retains its semiconductor properties.

Original languageEnglish (US)
Pages (from-to)12079-12085
Number of pages7
JournalPhysical Review B
Volume41
Issue number17
DOIs
StatePublished - Jan 1 1990

ASJC Scopus subject areas

  • Condensed Matter Physics

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