Doping stability and charge-density-wave transition of strained 1T-TiSe2

被引：7
|
作者：
Fu, Zhen-Guo [1 ]
Wang, Jian-Hao [2 ]
Yang, Yu [1 ]
Yang, Wei [2 ]
Liu, Li-Li [3 ]
Hu, Zi-Yu [4 ]
Zhang, Ping [1 ]
机构：
[1] Inst Appl Phys & Computat Math, POB 8009, Beijing 100088, Peoples R China
[2] Beijing Univ Posts & Telecommun, Beijing 100876, Peoples R China
[3] Beijing Technol & Business Univ, Sch Sci, Dept Chem, Beijing 100048, Peoples R China
[4] Beijing Univ Chem Technol, Beijing 100029, Peoples R China
来源：
EPL | 2017年 / 120卷 / 01期
基金：
中国博士后科学基金; 中国国家自然科学基金;
关键词：
D O I：
10.1209/0295-5075/120/17006
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Through a series of first-principles calculations, we reveal the doping stabilities of strained TiSe2 in both normal and charge density wave (CDW) states. Two critical carrier concentrations are revealed for both electron and hole dopings. The first one corresponds to the situation when CDW transition is totally eliminated after charge doping, while the second one corresponds to the situation when TiSe2 becomes structurally unstable due to charge doping. We systematically investigate and quantitatively reveal the modulations on these two critical doping concentrations by biaxial strains. Our study serves as an important supplement to understanding phase transitions of TiSe2, especially where charge doping or external strains are applied. Copyright (C) EPLA, 2017
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页数：5
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