The coexistence and competition of charge-density wave and superconductivity in the electron-doped H- MX2 (M = Mo, W and X=S, Se)

Zhang，Wenjun1; Zhuang，Quan2; Yu，Xiang Long1,3,4; Wu，Jiansheng1,3,4

2024-06-01

10.1016/j.surfin.2024.104391

Surfaces and Interfaces   影响因子和分区

2468-0230

In the group VI transition metal dichalcogenides (TMDs), an insulator family with two-dimensional structure, MoS has recently demonstrated to be involved in charge-density wave (CDW) and superconductivity (SC). Nevertheless, there is a lack of a cohesive theoretical framework and fragmentation in the existing theoretical models of the relationship between CDW and SC for this system. Base on first-principles calculations, the effects of electron doping on the electronic properties, electron-phonon interaction and SC are investigated comprehensively for monolayer H- MX (M = Mo, W and X = S, Se) here. We confirmed that two CDW phases, 23×23 and 2 × 2, are originated from Fermi surface nesting (FSN) and electron-phonon coupling (EPC), respectively. A complicated phase diagram of doping concentration dependencies of CDW and SC critical temperatures (T) is created, by SC coexisting with 23×23 CDW phase while competing with 2 × 2 CDW phase. The physical mechanisms of such coexistence and competition are also explained here. Our results extend the theoretical investigation by providing a comprehensive and in-depth analysis of CDW and SC in the group VI TMDs, and open up an alternative path for the exploration and regulation of collective phases of two-dimensional materials.

Charge density waves Electronic properties First-principles calculations Superconductivity Transition metal dichalcogenides

SCI

英语

第一

2-s2.0-85191333182

Scopus

1.Shenzhen Institute for Quantum Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China
2.Inner Mongolia Key Laboratory of Carbon Nanomaterials,Nano Innovation,Institute (NII),College of Chemistry and Materials Science,Inner Mongolia Minzu,University,Tongliao,028000,China
3.International Quantum Academy,Shenzhen,518048,China
4.Guangdong Provincial Key Laboratory of Quantum Science and Engineering,Shenzhen,518055,China

Zhang，Wenjun,Zhuang，Quan,Yu，Xiang Long,et al. The coexistence and competition of charge-density wave and superconductivity in the electron-doped H- MX2 (M = Mo, W and X=S, Se)[J]. Surfaces and Interfaces,2024,49.

Zhang，Wenjun,Zhuang，Quan,Yu，Xiang Long,&Wu，Jiansheng.(2024).The coexistence and competition of charge-density wave and superconductivity in the electron-doped H- MX2 (M = Mo, W and X=S, Se).Surfaces and Interfaces,49.

Zhang，Wenjun,et al."The coexistence and competition of charge-density wave and superconductivity in the electron-doped H- MX2 (M = Mo, W and X=S, Se)".Surfaces and Interfaces 49(2024).