Ground-state properties of diamond
Journal Article
·
· Phys. Rev. B: Condens. Matter; (United States)
The ground-state properties of diamond are investigated using an ab initio density-functional pseudopotential scheme. The calculated equilibrium lattice constant, cohesive energy, and bulk modulus are in excellent agreement with experiment. Unlike Si and Ge, a double hump is found in the valence-electron charge density along the tetrahedral bonds.
- Research Organization:
- Department of Physics, University of California, Berkeley, California 94720
- OSTI ID:
- 5770681
- Journal Information:
- Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 24:10; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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