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Theoretical factors affecting the structure of dysprosium metal

Authors
Journal
Journal of the Less Common Metals
0022-5088
Publisher
Elsevier
Publication Date
Volume
80
Issue
2
Identifiers
DOI: 10.1016/0022-5088(81)90092-8

Abstract

Abstract The various contributions to the total energy of dysprosium metal are calculated for divalent and trivalent ionic states and for h.c.p. and f.c.c. crystallographic lattices. The difference in energy for the four possible structures are found to be at most 6 rydbergs per unit volume, which is within the error bounds of the calculation. The terms involving the ionic properties favour the divalent state. The Ewald energy and the band structure energy favour the trivalent h.c.p. lattice.

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