Electronic structure and properties ofCoSi2

Abstract

The energy-band structure and related electronic properties of cubic ${\mathrm{CoSi}}_2$ 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 ${\mathrm{NiSi}}_2$, assuming a rigid-band adjustment of the Fermi level. The ${\mathrm{CoSi}}_2$ 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 the de Haas–van Alphen data of Newcombe and Lonzarich (preceding paper). 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≊340 Å). The kinematics of carrier transmission through Si/${\mathrm{CoSi}}_2$ interfaces and its dependence on interface orientation is analyzed in terms of the projected band structure.