Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1810500 | Physica B: Condensed Matter | 2012 | 5 Pages |
Abstract
We have investigated the structural and elastic properties of TiN at high pressures by the first-principles plane wave pseudopotential density functional theory method at applied pressures up to 45.4 GPa. The obtained normalized volume dependence of the resulting pressure is in excellent agreement with the experimental data investigated using synchrotron radial x-ray diffraction (RXRD) under nonhydrostatic compression up to 45.4 GPa in a diamond-anvil cell. Three independent elastic constants at zero pressure and high pressure are calculated. From the obtained elastic constants, the bulk modulus, Young's modulus, shear modulus, acoustic velocity and Debye temperature as a function of the applied pressure are also successfully obtained.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Ke Liu, Xiao-Lin Zhou, Hai-Hua Chen, Lai-Yu Lu,