The use of Wannier function in the calculations of band structure of covalent crystals
β Scribed by Lu Dong; Yang Guang
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 321 KB
- Volume
- 58
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
## Abstract By application of proper unitary matrices the four Bloch functions of each bandgroup with equal wave vector __k__ are transformed into modified Bloch functions in such a way that the resulting four sets of Wannier functions are adapted to the tetrahedral symmetry of the lattice. The Wan
A brief outline of a method for the calculation of the normal coordinates of mo1ecul.a.r crystals in the entire BrilloGn zone j! presented. Some results on .the lattice frequencies of crystalline benzene and naphthalene, cak \_...' culated using pair potential functions, are presented as ekmples. .-