Physicochemical conditions for the stability of manganese-doped nanolayers of gallium arsenide and its iso-electronic analogues

Abstract

In this paper research of stability of nanolayers of manganese doped materials of A^IIIB^V and A^IIB^IVС^V₂ types holding much promise as spintronic semiconductor compounds is described. The method of non-local density functional has been applied to calculate bonding energies {εij (r)} in atomic pairs for structures of A^IIIB^V and A^IIB^IVС^V₂ types and for MnAs. According to the calculations of internal energy, entropy and free energy of Helmholtz (Т = 298К), in the context of used models, addition of manganese to the arsenide’s A^IIIB^V and A^IIB^IVС^V₂ nanolayers affects its stability in different ways depending on its morphology and substitution mode. However, a critical instability in nanofilm leading to the tendency of growing of a new phase germ may be formed under any manganese concentrations. This leads to deterioration of electrophysical parameters of magnetic semiconductor compounds that is agreed with experimental data.