Pressure-induced phase transition in SiC.
نویسندگان
چکیده
The pressure-induced phase transition in silicon carbide is studied using a constant-pressure ab initio technique. The reversible transition between the zinc-blende structure and the rock-salt structure is successfully reproduced through the simulation. The transformation mechanism at the atomistic level is characterized, and it is found that the transition is based on a tetragonal and an orthorhombic intermediate state. The space groups of the intermediate states are determined as I 4̄m2 and Imm2.
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ورودعنوان ژورنال:
- Physical review. B, Condensed matter
دوره 48 14 شماره
صفحات -
تاریخ انتشار 1993