Abstract
Electronic structures of p-doped Ga2Se3 are calculated by using the first-principles pseudopotential total-energy method in the local density approximation. It is found that doped V atoms have the tendency to locate at Se sites and P atom is the suitable p-type dopant among various V atoms. Doping with P imports holes into the top of valence bands and induces the one-dimensional conductive property for Ga2Se3.
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