J. Phys. I France 4 (1994) 1867-1876
Electronic structures and optical properties of some fluorite structured intermetallicsA. Gupta1, R. Sen Gupta2 and K. Goswami3
1 Department of Physics, Behala College, Parnasree, India
2 Department of Physics, St Paul's C M. College, India
3 Department of Physics, Jadavpur Umversity, Calcutta-700 032, India
(Received 28 January 1994, revised 30 June 1994, accepted 24 August 1994)
The electronic energy band structures of three intermetallic compounds have been studied using the composite wave variational version of the APW method. The band structure results of PtIn 2 and IrSn 2 are compatible with other noble metal intermetallics. The densely populated valence band region of AuSb 2 largely differs from that of PtIn 2 and other intermetallics, but resemble those of AuGa 2 and provides an important basis for mterpretmg vanous physical observables. The DOS, JDOS, ( ) spectra and Fermi surfaces of the compounds calculated from the respective band structure data are different. The difference is attributed to the dissimilar nature and position of the bands immediately above and below the Fermi level.
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