ELECTRONIC AND OPTICAL-PROPERTIES OF AUAL2 AND PTAL2

Electronic energy bands of two isostructural intermetallic compounds, AuAl2 and PtAl2, 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 (PtAl2) and the 10d noble metal system (AuAl2) is attempted. From the band structure data, density of states, joint density of states, epsilon-2(omega) 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.