The Use of a Vector Computer in Ab-Initio Phonon Calculations in Semiconductors
There are two ab-initio methods for the calculation of the phonon frequencies of solids: 1) the total energy difference method , where the energy difference between the distorted and the undistorted crystal is calculated directly, and 2) the dielectric screening method .
KeywordsLocal Density Approximation Phonon Frequency Hamiltonian Matrix Dynamical Matrix Reciprocal Lattice Vector
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- R.M. Pick, M.H. Cohen and R.M. Martin, Phys. Rev. B2: 910 (1970).Google Scholar
- P.E. Van Camp, V.E. Van Doren and J.T. Devreese, Phys. Rev. B24: 1096 (1981).Google Scholar
- P.E. Van Camp, V.E. Van Doren and J.T. Devreese, unpublished results.Google Scholar
- J. Donahue, “The Structure of the Elements”, Wiley, New York (1972).Google Scholar
- J.H. Wilkinson, “The Algebraic Eigenvalue Problem”, Oxford University Press, London (1965).Google Scholar
- P.E. Van Camp, V.E. Van Doren and J.T. Devreese, in: “Proceedings of the 6th General Conference ‘Trends in Physics’ of the European Physical Society, Prague”, J. Janta and J. Pantoflicek, eds. (1984), p. 486.Google Scholar