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Electronic States and Fermi Surface Properties of NiH
Author(s) -
Tewari S.,
Singru R. M.
Publication year - 1981
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221030236
Subject(s) - fermi surface , density of states , condensed matter physics , fermi level , surface states , electronic band structure , fermi energy , atomic physics , electronic structure , electron , quasi fermi level , physics , surface (topology) , chemistry , quantum mechanics , geometry , superconductivity , mathematics
The band structure of Nih is calculated using the APW method for two atomic configurations of Ni, A: 3d 8 4s 2 and B: 3d 9 4s 1 . The curves for the density of states show that for the configuration B new low‐lying states are formed in Nih which are attributed to the bonding states. The density of states at the Fermi energy, N ( E F ), is compared with the value determined from the measurements of electronic specific heat. Cross‐sections of Fermi surface and de Haas‐van Alphen frequencies are calculated for two values (11.0 and 10.76) of the number of electrons in the unit cell. The results show that the band structure and Fermi surface of Nih cannot be understood in terms of the protonic (or rigid‐band) model.