title: Strain tuning of the charge density wave in monolayer and bilayer 1T-TaS2.
abstract: Using first-principles calculations, we investigate the strain effects on the charge density wave states of monolayer and bilayer 1T-TaS2. The modified stability of the charge density wave in the monolayer is understood in terms of the strain dependent electron localization, which determines the distortion amplitude. On the other hand, in the bilayer, the effect of strain on the interlayer interaction is also crucial. The rich phase diagram under strain opens new venues for applications of 1T-TaS2. We interpret the experimentally observed insulating state of bulk 1T-TaS2 as inherited from the monolayer by effective interlayer decoupling.
authors.affiliation: Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R&D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031, China. wine_beer@163.com csguo@swjtu.edu.cn.
authors.forename: Li-Yong
authors.initials: LY
authors.lastname: Gan
authors.affiliation: Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R&D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031, China. wine_beer@163.com csguo@swjtu.edu.cn.
authors.forename: Li-Hong
authors.initials: LH
authors.lastname: Zhang
authors.affiliation: PSE Division, KAUST, Thuwal 23955-6900, Kingdom of Saudi Arabia.
authors.forename: Qingyun
authors.initials: Q
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R&D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031, China. wine_beer@163.com csguo@swjtu.edu.cn.
authors.forename: Chun-Sheng
authors.initials: CS
authors.lastname: Guo
authors.affiliation: PSE Division, KAUST, Thuwal 23955-6900, Kingdom of Saudi Arabia.
authors.forename: Udo
authors.initials: U
authors.lastname: Schwingenschlögl
authors.affiliation: Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R&D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031, China. wine_beer@163.com csguo@swjtu.edu.cn and School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW, Australia.
authors.forename: Yong
authors.initials: Y
authors.lastname: Zhao