Electronic Structure of Calcium as a Function of the Lattice Constant
- 15 January 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 7 (2) , 674-684
- https://doi.org/10.1103/physrevb.7.674
Abstract
Energy bands, Fermi surfaces, and densities of states of calcium as a function of lattice constant have been calculated self-consistently by the augmented-plane-wave method. A comparison is made with other band calculations and photoemission and de Haas-van Alphen experiments. The calculation showed that calcium changes from a normal metal to a semimetal and back to a normal metal with decreasing lattice constant in agreement with high-pressure experiments.Keywords
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