Structural energetics of heavy alkali metals: pseudopotential theory revisited
M Mazibar Rahman; S M Mujibar Rahman; S M M R Chowdhury; M Mazibar Rahman; Phys. Dept., Univ. of Dacca, Dacca, Bangladesh; S M Mujibar Rahman; Phys. Dept., Univ. of Dacca, Dacca, Bangladesh; S M M R Chowdhury; Phys. Dept., Univ. of Dacca, Dacca, Bangladesh
Журнал:
Journal of Physics F: Metal Physics
Дата:
1984-04-01
Аннотация:
The authors investigate the structural energetics of the heavy alkali metals, namely K, Rb and Cs, by using third-order perturbation theory. In the calculations they employ the non-local transition-metal pseudopotential and also take into account the effects due to the orthogonalisation hole. The BCC structure is found to have the lowest energy for all of these metals.
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