Lattice dynamics of beryllium using a pseudopotential approach

Sahni, V. C. ; Venkataraman, G. (1969) Lattice dynamics of beryllium using a pseudopotential approach Physical Review, 185 (3). pp. 1002-1009. ISSN 0031-899X

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The lattice dynamics of Be is discussed within the framework of the local pseudopotential approximation. Calculations are made in the first instance using a basic pseudopotential computed from the orthogonalized-plane-wave band-structure results of Loucks and Cutler. Comparison with experimental phonon dispersion relations shows, however, poor agreement. Calculations are also made using Heine-Animalu model potentials, with similar results. Finally, the experimental data are inverted to obtain an experimental pseudopotential. The latter is used to make a band-structure calculation, and the resulting Fermi surface is compared with that derived from de Hass-van Alphen experiments.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:55574
Deposited On:18 Aug 2011 11:28
Last Modified:18 Aug 2011 11:28

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