The lattice parameters of hBN and cBN at a range of the synthetic temperature and pressure (1200∼2100K, 4.0∼8.0GPa) were calculated using ab initio density-functional theory. Lattice parameters a of hBN and cBN calculated by theoretical methods, were in good agreements with the experimental results, with the maximum relative difference being 2.50% and 1.53%, respectively. Meanwhile, the maximum relative difference of lattice parameters c of hBN in theoretical method was 7.53%, which was also reasonably consistent with the experimental results. It was found that the lattice parameters of hBN and cBN increased slowly with temperature, but decreased rapidly with pressure.
|Number of pages||9|
|State||Published - 2015|
Bibliographical noteFunding Information:
This work was supported by the National Natural Science Foundation of China under grant No. 51272139.
© 2015 Taylor & Francis Group, LLC.
- Cubic boron nitride
- Hexagonal boron nitride
- High temperature and high pressure
- The lattice parameters
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Control and Systems Engineering
- Ceramics and Composites
- Condensed Matter Physics
- Electrical and Electronic Engineering
- Materials Chemistry