Mechanical, piezoelectric and some thermal properties of (B3) BP under pressure
来源期刊:中南大学学报(英文版)2014年第1期
论文作者:S. DAOUD N. BIOUD N. LEBGAA
文章页码:58 - 64
Key words:(B3) BP compound; mechanical properties; pressure and anisotropy effect; thermal properties
Abstract: Some compounds of group III-V semiconductor materials exhibit very good piezoelectric, mechanical, and thermal properties and their use in surface acoustic wave (SAW) devices operating specially at GHz frequencies. These materials have been appreciated for a long time due to their high acoustic velocities, which are important parameters for active microelectromechanical systems (MEMS) devices. For this object, ?rst-principles calculations of the anisotropy and the hydrostatic pressure effect on the mechanical, piezoelectric and some thermal properties of the (B3) boron phosphide are presented, using the density functional perturbation theory (DFPT). The independent elastic and compliance constants, the Reuss modulus, Voigt modulus, and the shear modulus, the Kleinman parameter, the Cauchy and Born coefficients, the elastic modulus, and the Poisson ratio for directions within the important crystallographic planes of this compound under pressure are obtained. The direct and converse piezoelectric coefficients, the longitudinal, transverse, and average sound velocity, the Debye temperature, and the Debye frequency of (B3) boron phosphide under pressure are also presented and compared with available experimental and theoretical data of the literature.
S. DAOUD1, N. BIOUD2, N. LEBGAA2
(1. Faculty of Science and Technology, University of Bordj Bou-Arreridj, Bordj Bou-Arreridj 34000, Algeria;
2. Optoelectronics and Compounds Laboratory, Ferhat Abbes University, Setif 19000, Algeria)
Abstract:Some compounds of group III-V semiconductor materials exhibit very good piezoelectric, mechanical, and thermal properties and their use in surface acoustic wave (SAW) devices operating specially at GHz frequencies. These materials have been appreciated for a long time due to their high acoustic velocities, which are important parameters for active microelectromechanical systems (MEMS) devices. For this object, ?rst-principles calculations of the anisotropy and the hydrostatic pressure effect on the mechanical, piezoelectric and some thermal properties of the (B3) boron phosphide are presented, using the density functional perturbation theory (DFPT). The independent elastic and compliance constants, the Reuss modulus, Voigt modulus, and the shear modulus, the Kleinman parameter, the Cauchy and Born coefficients, the elastic modulus, and the Poisson ratio for directions within the important crystallographic planes of this compound under pressure are obtained. The direct and converse piezoelectric coefficients, the longitudinal, transverse, and average sound velocity, the Debye temperature, and the Debye frequency of (B3) boron phosphide under pressure are also presented and compared with available experimental and theoretical data of the literature.
Key words:(B3) BP compound; mechanical properties; pressure and anisotropy effect; thermal properties