GROUND-STATE PROPERTIES OF COSI2 DETERMINED BY A TOTAL-ENERGY PSEUDOPOTENTIAL METHOD

We calculate the lattice properties and electronic structure of cobalt disilicide using an ab initio total-energy method with optimized pseu dopotentials. Special attention is paid to the development of a soft r obust pseudopotential for the 3d element Co. The calculated band struc ture of CoSi2 agrees well with the results of all-electron studies and the equilibrium lattice constant, bulk modulus, and zone-center phono n frequencies obtained are in good agreement with experimental data.