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Title: Intrinsic and doping-enhanced superconductivity in monolayer 1 H TaS 2 : Critical role of charge ordering and spin-orbit coupling

Abstract

The interplay of superconductivity with charge density wave (CDW) in metallic transition-metal dichalcogenides has been widely debated, and viable strategies manipulating these quantum states in the two-dimensional (2D) limit remain unclear. Using the ab initio anisotropic Migdal-Eliashberg theory, we successfully explain the superconductivity observed in monolayer 1H-TaS2 by simultaneously determining its precise CDW structure and treating the marked modification of electron-phonon interaction and critical temperature Tc by spin-orbit coupling effects. With this paradigm, we further show that electron doping weakens the CDW order leading to increased Tc up to 11 K, along with a single-gap to two-gap superconductivity transition due to the suppression of the CDW gap. By contrast, a low hole doping barely affects the CDW but still yields a significantly enhanced superconducting order, implying their good coexistence. Combined with the synergistic behavior of CDW and superconductivity, which cooperate upon TaS2 thickness reduction causing an unusual rise of Tc, our results unravel diversified interactions between the two collective orders in ultrathin TaS2, being competition, coexistence or cooperation depending on external stimuli, which provide key clues for controlling correlated states in devices based on 2D CDW superconductors.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [5];  [3]
  1. Zhengzhou University (China)
  2. Graz University of Technology (Austria)
  3. Tsinghua Univ., Beijing (China)
  4. Beihang University, Beijing (China)
  5. Univ. of Texas, Austin, TX (United States)
Publication Date:
Research Org.:
Univ. of Texas, Austin, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Ministry of Science and Technology of China; Austrian Science Fund (FWF)
OSTI Identifier:
1979785
Grant/Contract Number:  
SC0020129; 11904325; 11874079; 51788104; 2016YFA0301001
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 105; Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Physics; charge density waves; electron-phonon coupling; first-principles calculations; multiband superconductivity; monolayer films; superconductors; transition metal dichalcogenides; density functional theory; Eliashberg theory

Citation Formats

Lian, Chao-Sheng, Heil, Christoph, Liu, Xiaoyu, Si, Chen, Giustino, Feliciano, and Duan, Wenhui. Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2 : Critical role of charge ordering and spin-orbit coupling. United States: N. p., 2022. Web. doi:10.1103/physrevb.105.l180505.
Lian, Chao-Sheng, Heil, Christoph, Liu, Xiaoyu, Si, Chen, Giustino, Feliciano, & Duan, Wenhui. Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2 : Critical role of charge ordering and spin-orbit coupling. United States. https://doi.org/10.1103/physrevb.105.l180505
Lian, Chao-Sheng, Heil, Christoph, Liu, Xiaoyu, Si, Chen, Giustino, Feliciano, and Duan, Wenhui. Tue . "Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2 : Critical role of charge ordering and spin-orbit coupling". United States. https://doi.org/10.1103/physrevb.105.l180505. https://www.osti.gov/servlets/purl/1979785.
@article{osti_1979785,
title = {Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2 : Critical role of charge ordering and spin-orbit coupling},
author = {Lian, Chao-Sheng and Heil, Christoph and Liu, Xiaoyu and Si, Chen and Giustino, Feliciano and Duan, Wenhui},
abstractNote = {The interplay of superconductivity with charge density wave (CDW) in metallic transition-metal dichalcogenides has been widely debated, and viable strategies manipulating these quantum states in the two-dimensional (2D) limit remain unclear. Using the ab initio anisotropic Migdal-Eliashberg theory, we successfully explain the superconductivity observed in monolayer 1H-TaS2 by simultaneously determining its precise CDW structure and treating the marked modification of electron-phonon interaction and critical temperature Tc by spin-orbit coupling effects. With this paradigm, we further show that electron doping weakens the CDW order leading to increased Tc up to 11 K, along with a single-gap to two-gap superconductivity transition due to the suppression of the CDW gap. By contrast, a low hole doping barely affects the CDW but still yields a significantly enhanced superconducting order, implying their good coexistence. Combined with the synergistic behavior of CDW and superconductivity, which cooperate upon TaS2 thickness reduction causing an unusual rise of Tc, our results unravel diversified interactions between the two collective orders in ultrathin TaS2, being competition, coexistence or cooperation depending on external stimuli, which provide key clues for controlling correlated states in devices based on 2D CDW superconductors.},
doi = {10.1103/physrevb.105.l180505},
journal = {Physical Review. B},
number = 18,
volume = 105,
place = {United States},
year = {Tue May 24 00:00:00 EDT 2022},
month = {Tue May 24 00:00:00 EDT 2022}
}

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