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(Gamma) at the Gamma point, and pressure dependences of E-g(Gamma) are investigated in detail. Our results show that the E-g(Gamma)-P relations can be classified into two distinct types for these ZB and WZ phases. A transformation from one type of E-g(Gamma)-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.
部门归属
chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;wang, sq (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china
S. Q. Wang,H. Q. Ye. A plane-wave pseudopotential study on III-V zinc-blende and wurtzite semiconductors under pressure[J]. Journal of Physics-Condensed Matter,2002,14(41):9579-9587.
APA
S. Q. Wang,&H. Q. Ye.(2002).A plane-wave pseudopotential study on III-V zinc-blende and wurtzite semiconductors under pressure.Journal of Physics-Condensed Matter,14(41),9579-9587.
MLA
S. Q. Wang,et al."A plane-wave pseudopotential study on III-V zinc-blende and wurtzite semiconductors under pressure".Journal of Physics-Condensed Matter 14.41(2002):9579-9587.
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