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First-Principles Electronic Structure Calculations of MnAs/GaAs(001) Magnetic Multilayers

First-principles electronic band-structure calculations are carried out for magnetic multilayers MnAs/GaAs(001) having the zinc-blende strucutre by using the full-potential linearized augmented-plane-wave (FLAPW) method in order to obtain an insight into their electronic and magnetic properties. In the ferromagnetic state so-called half-metallic behavior is found and the magnetic polarization antiparallel to the Mn moment is induced at the neighboring As sites. By comparing the calculated band-structure with the photoemission spectra observed for the III-V based diluted magnetic semiconductor (Ga,Mn)As, it is found that the many-body effect due to the electron-electron interaction between Mn 3d electrons is important in this system.