Article citationsMore>>
M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard and P. J. Hasnip, “First-Principles Simulation: Ideas, Illustrations and the CASTEP Code,” Journal of Physics: Condensed Matter, Vol. 14, No. 11, 2002, p. 2717.
doi:10.1088/0953-8984/14/11/301
has been cited by the following article:
-
TITLE:
Simulation Mechanical Properties of Lead Sulfur Selenium under Pressure
AUTHORS:
Mazin S. Othman
KEYWORDS:
PbSSe; Elastic Properties; Pressure
JOURNAL NAME:
Journal of Modern Physics,
Vol.4 No.2,
February
6,
2013
ABSTRACT:
The elastic properties of lead sulfur selenium are studied using first-principles calculations. The geometry optimized structural parameters for PbS0.5Se0.5 under different pressures are listed. The lattice parameter increase with increasing pressure, but enthalpy is constant. However, parameter B and Y decrease and parameter S increase with increasing pressure. The elastic constants satisfy the traditional mechanical stability conditions for these ternary mixed crystals. The elastic modulus as two functions of pressure from 0 - 10 GPa are obtained. The calculated elastic constants Cij decrease but with different rates under increasing pressure.
Related Articles:
-
Casimir Komenan
-
Yuka Uemura, Sachiko Sugimoto, Katsuyoshi Matsunami, Hideaki Otsuka, Yoshio Takeda
-
Ngozi Grace Emordi, Iweriolor Sunday, Onyekpe Basil Obimma
-
Moawwad E. A. El-Mikkawy
-
Samuel Rhodes, Xiaochen Wang, Wenlang Liang, Hyoung Jin Cho, Jiyu Fang