AbstractInvestigation of the properties of MnxGa1-xN semiconductor alloy is performed on the basis of LCAO electron band structure of this semiconductor. The authors model this alloy on the basis of Mn substitutions on Ga sites and it is identified that the ternary semiconductor MnxGa1-xN has two tetrahedral binary constituents – GaN and MnN. It is found that the sp3 hybrid orbital of the N atom attracts an electron from the 3d orbital of the Mn atom and thus the Mn-N bonding becomes of sp3 type. In this way the total electron spin of the 3d orbital of the Mn atom becomes 3/2, which determines that the energy levels 4F, 4D, 4P and 4G belonging to this orbital to be occupied. LCAO electron band structure of wurtzite MnxGa1-xN for points Γυc1 and Γυv15 (υ = 1, 2, 3, 4, 5) is calculated by previously developed method and the positions of the levels 4F, 4D, 4P and 4G in this structure are determined. It is found dependence of the total electron spin of the Mn atom on the position of the Fermi level in the electron band diagram of MnxGa1-xN. Also it is found that the total spin depends on electron inter-band transitions as well. The optical properties of the wurtzite MnxGa1-xN are determined as well.
A study on structural and electronic properties of GaAs1-xNx and GaAs1-xBix alloys
