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Electronic and Optical Properties of AuAl 2 and PtAl 2
Author(s) -
Gupta A.,
Gupta R. Sen
Publication year - 1991
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.2221680208
Subject(s) - intermetallic , electronic structure , isostructural , electronic band structure , density of states , spectral line , atomic physics , superposition principle , physics , chemistry , materials science , condensed matter physics , crystal structure , quantum mechanics , crystallography , alloy , organic chemistry
Electronic energy bands of two isostructural intermetallic compounds, AuAl 2 and PtAl 2 , are calculated using the composite wave variational version of the APW method. The crystal potential is constructed by superposition of the atomic potential of Herman and Skillman. A comparative study between the 9d noble metal system (PtAl 2 ) and the 10d noble metal system (AuAl 2 ) is attempted. From the band structure data, density of states, joint density of states, ϵ 2 (ω) spectra and the Fermi surfaces are worked out. Results are interpreted in the light of band structure data and compared and correlated with available experimental results.