Excitonic Instability in Ta2Pd3Te5 Monolayer

作     者：Jingyu Yao Haohao Sheng Ruihan Zhang Rongtian Pang Jin-Jian Zhou Quansheng Wu Hongming Weng Xi Dai Zhong Fang Zhijun Wang 

作者机构：Beijing National Laboratory for Condensed Matter Physics and Institute of PhysicsChinese Academy of Sciences University of Chinese Academy of Sciences Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement (MOE) School of Physics Beijing Institute of Technology Department of Physics Hong Kong University of Science and Technology 

出 版 物：《Chinese Physics Letters》 (中国物理快报(英文版))

年 卷 期：2024年第41卷第09期

页      面：50-55页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China (Grant Nos. 11974395 and 12188101) the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB33000000) the National Key R&D Program of China (Grant Nos. 2022YFA1403800 and 2022YFA1403400) the Center for Materials Genome 

主　　题：CONDENSATION SIGNATURES PHASE 

摘      要：By systematic theoretical calculations, we reveal an excitonic insulator（EI） in the Ta2Pd3Te5monolayer. The bulk Ta2Pd3Te5is a van der Waals（vdW） layered compound, whereas the vdW layer can be obtained through exfoliation or molecular-beam epitaxy. First-principles calculations show that the monolayer is a nearly zero-gap semiconductor with the modified Becke–Johnson functional.