Doping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity
作者:Liao, JH (Liao, Ji-Hai)[ 1,2 ] ; Zhao, YC (Zhao, Yin-Chang)[ 3 ] ; Zhao, YJ (Zhao, Yu-Jun)[ 1,4 ] ; Yang, XB (Yang, Xiao-Bao)[ 1,4 ] ; Chen, Y (Chen, Yue)[ 2 ]
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JOURNAL OF APPLIED PHYSICS
卷: 127 期: 4
文献号: 044301
DOI: 10.1063/1.5135615
出版年: JAN 31 2020
文献类型:Article
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摘要
Using the first-principles calculations, we have investigated the effects of the charge doping and biaxial strain on the charge density wave (CDW) of monolayer octahedral titanium disulfide (1T-TiS2). Our results show that proper electron doping can suppress the (2 x 2) CDW instability and the larger electron doping promotes a (root 7 x root 3) CDW phase involving a spontaneous breaking of the hexagonal crystal symmetry. Strain can affect the stability of doped monolayer 1T-TiS2, but neither compressive strain nor tensile strain alone can stabilize the pristine one. When TiS2 layers are decorated by metal atoms, such as Li, Na, K, Ca, and Al, the transferred charge can also suppress the (2 x 2) CDW instability. The stable doped 1T-TiS2 is predicted to exhibit good phonon-mediated superconductivity, which can be further enhanced by strain. Our results reveal a unique CDW phenomenon in the electron-doped monolayer 1T-TiS2 and that doping combined strain is efficient to modulate phonon softening, electron-phonon coupling, and superconductivity. Published under license by AIP Publishing.
关键词
KeyWords Plus:ELECTRODE MATERIAL; TRANSITION; NANOSHEETS; PHASE
作者信息
通讯作者地址: Yang, XB (通讯作者)
显示更多South China Univ Technol, Dept Phys, Guangzhou 510640, Peoples R China.
通讯作者地址: Yang, XB (通讯作者)
显示更多South China Univ Technol, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510640, Peoples R China.
地址:
显示更多[ 1 ] South China Univ Technol, Dept Phys, Guangzhou 510640, Peoples R China
显示更多[ 2 ] Univ Hong Kong, Dept Mech Engn, Pokfulam Rd, Hong Kong, Peoples R China
显示更多[ 3 ] Yantai Univ, Dept Phys, Yantai 264005, Peoples R China
显示更多[ 4 ] South China Univ Technol, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510640, Peoples R China
电子邮件地址:scxbyang@scut.edu.cn; yuechen@hku.hk
基金资助致谢
基金资助机构显示详情授权号
Guangdong Natural Science Funds for Distinguished Young Scholars
2014A030306024
National Natural Science Foundation of China
11574088
11704322
51706192
Guangdong Natural Science Funds for Doctoral Program
2017A030310086
Shandong Natural Science Funds for Doctoral Program
ZR2017BA017
University of Hong Kong
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出版商
AMER INST PHYSICS, 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
期刊信息
Impact Factor (影响因子): Journal Citation Reports
类别 / 分类
研究方向:Physics
Web of Science 类别:Physics, Applied