Self-consistent APW bandstructure of V3Ga
- 1 April 1978
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 8 (4), 617-621
- https://doi.org/10.1088/0305-4608/8/4/012
Abstract
Energy bands and densities of states have been calculated for V3Ga using the self-consistent APW method. Relativistic effects and interstitial corrections to the muffin-tin approximation have been included. Calculations using the local density approximation (LDA) exchange of Hedin and Lundqvist (1971), and an alpha =2/3, rho 13/, local exchange are compared. The general computational techniques used in this and other A15 material calculations in progress are discussed.Keywords
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