Electronic structure and properties of CoSi sub 2

01 January 1988

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The energy-band structure and related electronic properties of cubic CoSi sub 2 have been calculated self-consistently with the use of the linear augmented-plane-wave method. The results are qualitatively similar to those determined previously for NiSi sub 2, assuming a rigid-band adjustment of the Fermi level. 

The CoSi sub 2 Fermi surface is quite simple, consisting of three nested hole sheets centered at the Brillouin-zone origin. The calculated Fermi-surface dimensions and topology are in excellent agreement with Newcombe's de Haas-van Alphen data. 

The calculated Drude plasma energy and Fermi velocity are combined with the observed resistivity to estimate transport properties such as low-temperature carrier mean-free paths (l=340angstroms). 

The kinematics of carrier transmission through Si:CoSi sub 2 interfaces and its dependence on interface orientation is analyzed in terms of the projected band structure.