Origin of the Different Reconstructions of Diamond, Si, and Ge(111) Surfaces
Journal Article
·
· Physical Review Letters
Ab initio calculations of the 2{times}1 , c(2{times}8) , and 7{times}7 reconstructions of the diamond, Si, and Ge(111) surfaces are reported. The {pi} -bonded chain, adatom, and dimer-adatom-stacking fault models are studied to understand the driving forces for a certain reconstruction. The resulting energetics, geometries, and band structures are compared for the elemental semiconductors with different atomic sizes, and chemical trends are derived. We show why the lowest-energy reconstructions are different for the group-IV materials considered.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40204741
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 1 Vol. 87; ISSN 0031-9007
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
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