The results of a plane-wave pseudopotential study on the mechanical and electronic properties of twelve III–V zinc-blende (ZB) and wurtzite (WZ) semiconductors under pressure are presented. The lattice parameters, bulk moduli B 0 , energy band types, band-gaps E g Γ at the Γ point, and pressure dependences of E g Γ are investigated in detail. Our results show that the E g Γ – P relations can be classified into two distinct types for these ZB and WZ phases. A transformation from one type of E g Γ – P relation to the other type is found to occur in some WZ phases. Linear relationships between the bulk moduli and the inverse of unit-cell volumes at P = 0 are also found for the ZB and WZ phases.
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Wang et al. (2002) studied this question.
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