| Issue |
EPL
Volume 87, Number 3, August 2009
|
|
|---|---|---|
| Article Number | 36001 | |
| Number of page(s) | 5 | |
| Section | Condensed Matter: Structural, Mechanical and Thermal Properties | |
| DOI | https://doi.org/10.1209/0295-5075/87/36001 | |
| Published online | 27 August 2009 | |
Pressure-induced phase transformation of 4H-SiC: An ab initio constant-pressure study
1
Fizik Bölümü, Ahi Evran Üniversitesi - Kırşehir, 40100, Turkey
2
Department of Physics, University of Texas at El Paso - El Paso, TX 79968, USA
Corresponding author: mdurandurdu@utep.edu
Received:
9
June
2009
Accepted:
23
July
2009
The stability of 4H-SiC at high pressure is studied using a constant-pressure ab initio technique. For the first time, a first-order phase transformation into a rocksalt structure is observed in this material. The 4H-to-RS phase transformation is associated with the shear deformation and its transformation mechanism is different from that of the 2H-to-rocksalt and 6H-to-rocksalt phase transformations. The 4H-to-rocksalt phase change is also studied by total-energy calculations.
PACS: 64.70.kg – Semiconductors / 61.50.Ks – Crystallographic aspects of phase transformations; pressure effects / 62.50.-p – High-pressure effects in solids and liquids
© EPLA, 2009
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