Equilibrium configuration of bond-centered H0 in GaAs

Dj M. Maric, S. Vogel, P. F. Meier, S. K. Estreicher

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

The equilibrium structure of neutral interstitial hydrogen near the bond-centered site in GaAs is calculated at the ab initio Hartree-Fock level in the cluster HGa4As4H18 using a split-valence basis set and ab initio pseudopotentials for the core orbitals. The calculated spin densities and various other properties agree well with the muon-spin-rotation and level-crossing resonance-spectroscopy measurements.

Original languageEnglish
Pages (from-to)8545-8547
Number of pages3
JournalPhysical Review B
Volume40
Issue number12
DOIs
StatePublished - 1989

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