Energy Band Structure of Chromium by the Slater-Koster Interpolation Scheme
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Date
1985-06
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Addis Ababa University
Abstract
The 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,
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Keywords
Energy Band Structure of Chromium