Half-metallic fully compensated ferrimagnetism in C1b-type half Heusler compounds Mn2Si1−xGex

Abstract

First-principles electronic structure calculations have been performed for the 18-valence electrons compounds Mn2Si1−xGex(x=0, 0.25, 0.5, 0.75, 1). The results suggest that Mn2Si1−xGex compounds in C1b structure are half-metallic fully compensated ferrimagnets. Furthermore, the size of the half-metallic band gap, the position of the Fermi level, and the magnetic moment of Mn atoms can be manipulated by changing x from 0 to 1 without destroying the half-metallic fully compensated ferrimagnetic property.