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 language | English |
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Pages (from-to) | 8545-8547 |
Number of pages | 3 |
Journal | Physical Review B |
Volume | 40 |
Issue number | 12 |
DOIs | |
State | Published - 1989 |