DENSITY-FUNCTIONAL THEORY FOR HOLES IN SEMICONDUCTORS

A long standing problem of solid state theory is solved, being the der ivation of a set of self-consistent one-particle equations for the int eracting multicomponent hole gas of a semiconductor in an external pot ential. Combining effective mass theory with density functional theory , the Hohenberg-Kohn theorem is generalized and a set of generalized K ohn-Sham equations is obtained for the multicomponent gas. It is demon strated how the exchange-correlation potential matrix may be calculate d by the local density approximation. Explicit results are given for t he Gamma(8) valence band holes of zinc blende type semiconductors. [S0 031-9007(97)04490-6].