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A k dependent potential for bands in metals. II. Calculations; Ca and Al

Authors :
R C Harford
R G Blake
S L Altmann
Source :
Journal of Physics F: Metal Physics. 2:1062-1069
Publication Year :
1972
Publisher :
IOP Publishing, 1972.

Abstract

For pt. I see ibid., vol.2, 1055-61 (1972). The use of the k dependent potential is described. The band structure of Ca and its Fermi surface are computed with this potential and it is shown that the results are a marked improvement on those given by conventional potentials. The energy eigenvalues are computed for symmetry points for Al and it is shown that fair agreement is obtained with results obtained from a pseudopotential. It should be stressed that the potential used is entirely a priori, with no adjustable parameter.

Details

ISSN :
03054608
Volume :
2
Database :
OpenAIRE
Journal :
Journal of Physics F: Metal Physics
Accession number :
edsair.doi...........fbb58b38ea9c5dc37774f459ecb30e26
Full Text :
https://doi.org/10.1088/0305-4608/2/6/011