Article ID Journal Published Year Pages File Type
1810837 Physica B: Condensed Matter 2012 4 Pages PDF
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 20 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 0-1500 K and 0-25 GPa.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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