Mikusik, Peter(PhD)Seifu, Dereje2018-06-202023-11-092018-06-202023-11-091985-06http://10.90.10.223:4000/handle/123456789/2376The matrix elements of tho Hauiltonian between nine localized 110.VC functions in tiGht-bindinf; fOrlJaliGlil are derived. The syml:letry adapted wave-functions and the secular equations are formed by the t,roup theory method for hign sy~~etry points in the Brillouin Zone. h set of intero.ction integraln is chosen on physical grounds and fitted via tL 0 Slater -Koster interpolation schBlfie to the abinitio bund structure of chromium calculated by the Green's function method. Then the energy band structure of chromiUla is interpolated and extrapolated in the Brillouin Zone. '1'hese rosul ts L1ay be directly used fGr cOInputation of the cOulplex energy band structure at any point of the Brillouin ~ono and density of staten of cllromiul:l,enEnergy Band Structure of ChromiumThesis