Volume 84, Number 2, October 2008
|Number of page(s)||5|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||25 September 2008|
Phase transformation of 6H-SiC at high pressure: An ab initio constant-pressure study
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: email@example.com
Accepted: 15 September 2008
We apply a constant-pressure ab initio technique to investigate the high-pressure phase transformation of 6H-SiC and show that it transforms into a rocksalt structure. This phase change proceeds in two stages: 6H-SiC is first compressed along the c-direction and then it undergoes a shear deformation on the a-b planes. This transformation mechanism is quite similar to that of the wurtzite-to-rocksalt observed in 2H-SiC but there is no metastable phase identified along this path. The 6H-to-RS phase transition is also analyzed from the energy volume calculations. The computed transition parameters agree well with the experimental data.
PACS: 64.70.K- – Solid–solid transitions / 64.70.kg – Semiconductors / 62.50.-p – High-pressure effects in solids and liquids
© EPLA, 2008
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.