Electronic structure of the cubic phase of zirconium dioxide

The band structure of the cubic phase of zirconium dioxide is obtained by employing the LMTO method. Its PV-diagram is calculated to determine the equilibrium lattice constant. The emission Zr L_III-spectrum of this compound is interpreted.Institute of Metallophysics, Ukrainian Academy of Sciences. Kiev Polytechnical Institute. Translated fromZhurnal Strukturnoi Khimii, Vol. 34, No. 5, pp. 57–62, September–October, 1993.Translated by O. Kharlamova