CHARACTERIZATION OF X-RAY PHOTOELECTRON AND INVERSE PHOTOELECTRON-SPECTRA OF ORTHORHOMBIC III-VII COMPOUNDS IN TERMS OF NORM-CONSERVING PSEUDOPOTENTIAL CALCULATION - APPLICATION TO TLI
Mi. Kolinko et Ry. Bibikov, CHARACTERIZATION OF X-RAY PHOTOELECTRON AND INVERSE PHOTOELECTRON-SPECTRA OF ORTHORHOMBIC III-VII COMPOUNDS IN TERMS OF NORM-CONSERVING PSEUDOPOTENTIAL CALCULATION - APPLICATION TO TLI, Zeitschrift fur Physik. B, Condensed matter, 95(2), 1994, pp. 167-172
Energy distribution curves for occupied and virtual states in orthorho
mbic thallium iodide through angle-integrated photoelectron spectrosco
py are compared with the result of the total density of states calcula
tion performed without any fitting parameters. The main spectral featu
res are analyzed via charge density maps and generalized for other com
pounds of the TlI-type structure.