Liu Yonghui, Xiao Hongwei, Luo Li, Xiao Huayun
Jiangxi Province Key Laboratory of the Causes and Control of Atmospheric Pollution, East China University of Technology Nanchang 330013 China
College of Water Resources and Environmental Engineering, East China University of Technology Nanchang 330013 China.
RSC Adv. 2020 Feb 3;10(9):5428-5435. doi: 10.1039/c9ra10288d. eCollection 2020 Jan 29.
We systematically investigated the temperature-dependent bandgap energy and Raman shift on the bond length and bond energy, Debye temperature, and atomic cohesive energy for M(X, X) bond relaxation methods. It is revealed that the thermal decay of both bandgap energy and phonon frequency arose from the thermal integration of the specific heat of Debye approximation. The results indicate that (i) the bandgap energy relaxation is due to the thermal excitation-induced weakening of the bond energy, and the phonon frequency was just a function of bond length and bond energy; (ii) the Debye temperature determines the nonlinear range at low temperatures; (iii) the reciprocal of the atomic cohesive energy governs the linear behavior at high temperatures. Thus, the outcomes of this study include fundamental information about photon, phonon, and the thermal properties of layered semiconductors, which are crucial to develop the new generations of thermal and electronic applications of devices based on layered semiconductors.
我们系统地研究了M(X, X)键弛豫方法中带隙能量和拉曼位移与键长、键能、德拜温度以及原子内聚能之间的温度依赖关系。结果表明，带隙能量和声子频率的热衰减源于德拜近似比热的热积分。结果表明：(i) 带隙能量弛豫是由于热激发导致键能减弱，且声子频率仅是键长和键能的函数；(ii) 德拜温度决定了低温下的非线性范围；(iii) 原子内聚能的倒数决定了高温下的线性行为。因此，本研究的结果包含了有关光子、声子以及层状半导体热性质的基础信息，这对于开发基于层状半导体的新一代热电子应用器件至关重要。
