Thermal Transport Mechanism of Amorphous HfO_(2):A Molecular Dynamics Based Study

作     者：ZHANG Honggang WEI Han BAO Hua ZHANG Honggang;WEI Han;BAO Hua

作者机构：University of Michigan-Shanghai Jiao Tong University Joint InstituteShanghai Jiao Tong UniversityShanghai 200240China 

出 版 物：《Journal of Thermal Science》 (热科学学报（英文版）)

年 卷 期：2022年第31卷第4期

页      面：1052-1060页

核心收录：

学科分类：080701[工学-工程热物理] 08[工学] 0807[工学-动力工程及工程热物理] 

基　　金：supported by the National Natural Science Foundation of China(NSFC)(No.12104291)and(No.51676121) 

主　　题：amorphous HfO2 molecular dynamics thermal conductivity mean free path size effect temperature effect 

摘      要：Amorphous hafnium dioxide(a-HfO_(2))has attracted increasing interest in the application of semiconductor devices due to its high dielectric ***,the thermal transport properties of a-HfO_(2) are not well understood,which hinders its potential application in *** this work,we systematically investigate the thermal transport property of a-HfO_(2) using the molecular dynamics *** non-equilibrium molecular dynamics simulations reveal that the thermal conductivity of a-HfO;is length-dependent below 100 *** decomposed heat current further proves that the thermal transport of propagons and diffusons is sensitive to the system *** thermal conductivity is found to increase with temperature using Green-Kubo mode *** also quantify the contribution of each carrier to the thermal conductivity at different *** find that propagons are more important than diffusons in thermal transport at low temperatures(100 K).In comparison,diffusons dominate heat transport at high *** have negligible contribution to the total thermal conductivity.