A First-Principles Study of the Thermodynamic Properties of GaAs under Intense Electronic Excitation

被引：0
作者：
S. Q. Feng
H. N. Li
B. M. Li
X. L. Cheng
机构：
[1] Zhengzhou University of Light Industry,The High Pressure Research Center of Science and Technology
[2] XuJi Electric CO.,Institute of Atomic and Molecular Physics
[3] LTD,undefined
[4] Sichuan University,undefined
来源：
Journal of the Korean Physical Society | 2018年 / 72卷
关键词：
First-principles study; Thermodynamic properties; Electronic excitation;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
In this paper, we present the phonon dispersion curves of Gallium arsenide (GaAs) at different electronic temperatures. Based on the phonon spectra, we further investigated the thermodynamic properties of GaAs under intense electronic excitation. The phonon entropy, phonon heat capacity and phonon contribution to the Helmholtz free energy and the internal energy as functions of temperature at different electronic temperatures are calculated. A sudden change in the phonon entropy-temperature curve from Te = 1.25 to 1.5 eV provides an indication of GaAs undergoing a phase transition from a solid to a liquid. This can be considered as collateral evidence for the non-thermal melting of GaAs under electronic excitation.
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页码：1326 / 1331
页数：5
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