Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1810837 | Physica B: Condensed Matter | 2012 | 4 Pages |
Abstract
A theoretical study of the structural, elastic and thermodynamic properties of the cubic zinc-blende (ZB) structure InN are presented in this paper by performing first principles calculations within local density approximation. The values of lattice constant, bulk modulus and its pressure derivatives and elastic constants are in excellent agreement with the available experimental data and other theoretical results. It is found that the ZB structure InN should be unstable above 20Â GPa mechanically. The pressure and temperature dependencies of the bulk modulus, the heat capacity and the thermal expansion coefficient and the entropy S, as well as the Grüneisen parameter are obtained by the quasi-harmonic Debye model in the ranges of 0-1500Â K and 0-25Â GPa.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Hai-Jun Hou, Shi-Fu Zhu, Bei-Jun Zhao, You Yu, Shun-Ru Zhang, Lin-Hua Xie,