Abstract
The energy bands of ordered β′-MgHg and β′-MgTl have been calculated by the relativistic linear-muffintin-orbital method. We show how the gross features of the energy bands may be estimated from Wigner-Seitz rules. The densities of states are calculated and the heat capacities derived. The Fermi surfaces are found to be sp-like but there are narrow 5d bands far below—and wide 3d and 6d bands far above—the Fermi levels. For β′-MgHg the calculated angular variation of extremal cross sections of the Fermi surface agrees very well with de Haas-van Alphen data and thereby provide an interpretation of these measurements. The average mass enhancement is found to be 1.6.
© 1977 The American Physical Society
Original language | English |
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Journal | Physical Review B |
Volume | 15 |
Issue number | 4 |
Pages (from-to) | 1894-1905 |
ISSN | 2469-9950 |
DOIs | |
Publication status | Published - 1977 |