Analysis of LMTO band results for A15 compounds by pressure calculations
- 1 June 1979
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 9 (6) , 1065-1076
- https://doi.org/10.1088/0305-4608/9/6/013
Abstract
Self-consistent LMTO band results for 27 A15 compounds have been analysed in terms of pressure calculations. A canonical scheme which describes the band structure at compressed and expanded lattice dimensions is presented and used for some of the compounds to estimate bulk moduli and sound velocities. Partial site and l-decomposed pressures obtained from the ambient lattice constant band results are used to calculate semi-empirical sound velocities and Debye temperatures.Keywords
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