The effects of relativity on the bond lengths, vibrational frequencies, dissociation energies, and dipole moments of the ground states of the group IB hydrides Ž . MH, chlorides MCl, and dimers M M s Cu, Ag, and Au have been studied by 2 Ž . relativistic density functional theory DFT with the B88 pl
✦ LIBER ✦
Density-functional theory study of Au, Ag and Cu defects in germanium
✍ Scribed by A. Carvalho; J. Coutinho; R. Jones; E. Silva; S. Öberg; P.R. Briddon
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 148 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1369-8001
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