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The use of Wannier function in the calculations of band structure of covalent crystals

✍ 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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## 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

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✍ G. Taddei; H. Bonadeo; S. Califano πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 364 KB

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. .-