Phonon thermal transport properties of XB_(2)(X=Mg and Al)compounds:considering quantum confinement and electron-phonon interaction

作     者：Sen Liu Zheng Chang Xiao-Liang Zhang Kun-Peng Yuan Yu-Fei Gao Da-Wei Tang Sen Liu;Zheng Chang;Xiao-Liang Zhang;Kun-Peng Yuan;Yu-Fei Gao;Da-Wei Tang

作者机构：Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of EducationSchool of Energy and Power EngineeringDalian University of TechnologyDalian 116024China 

出 版 物：《Rare Metals》 (稀有金属（英文版）)

年 卷 期：2023年第42卷第9期

页      面：3064-3074页

核心收录：

学科分类：080705[工学-制冷及低温工程] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0807[工学-动力工程及工程热物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：financially supported by the National Natural Science Foundation of China(Nos.51720105007,52076031 and 51806031) the Fundamental Research Funds for the Central Universities(No.DUT19RC(3)006) the computing resources from Super-computing Center of Dalian University of Technology 

主　　题：Superconductor Phonon thermal transport properties Electron-phonon interaction(EPI) Quantum confinement effect 

摘      要：XB_(2)(X=Mg and Al)compounds have drawn great attention for their superior electronic characteristics and potential applications in semiconductors and *** study of phonon thermal transport properties of XB_(2)is significant to their application and mechanism behind *** this work,the phonon thermal transport properties of three-dimensional(3D)and two-dimensional(2D)XB_(2)were studied by first-principles *** considering the electron-phonon interaction(EPI),the thermal conductivities(TCs)of 3D Mg B_(2)and 3D Al B_(2)decrease by 29%and 16%which is consistent with experimental ***,the underlying mechanisms of reduction on lattice TCs are the decrease in phonon lifetime and heat capacity when considering quantum confinement *** importantly,we are surprised to find that there is a correlation between quantum confinement effect and *** quantum confinement will change the phonon and electron characteristics which has an impact on ***,our work is expected to provide insights into the phonon thermal transport properties of XB_(2)compounds considering EPI and quantum confinement effect.