Murat Durandurdu 2004 J. Phys.: Condens. Matter 16 4411 doi:10.1088/0953-8984/16/25/002
Pressure-induced phase transition of SiC
Murat Durandurdu
Show affiliationsThe 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 
and Imm 2.
- PACS
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61.50.Ks Crystallographic aspects of phase transformations; pressure effects
71.15.-m Methods of electronic structure calculations
61.50.Ah Theory of crystal structure, crystal symmetry; calculations and modeling
- Subjects
- Dates
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Issue 25 (30 June 2004)
Received 24 April 2003
Published 11 June 2004
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Pressure-induced phase transition of SiC
Murat Durandurdu 2004 J. Phys.: Condens. Matter 16 4411
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