Enhancement of Ising superconductivity in monolayer NbSe2 via surface fluorination

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外文摘要：Recently discovered Ising superconductors have garnered considerable interest due to their anomalously large in-plane upper critical fields(Bc2).However,the requisite strong spin-orbital coupling in the Ising pairing mechanism generally renders these superconductors heavy-element dominant with notably low superconducting transition temperatures(Tc).Here,based on the Migdal-Eliashberg theory and the mean-field Bogoliubov-de Gennes Hamiltonian,we demonstrate a significant enhancement of Ising superconductivity in monolayer NbSe2 through surface fluorination,as evidenced by concomitant improvements in Tc and Bc2.This enhancement arises from three predominant factors.Firstly,fluorine atoms symmetrically and stably adhere to both sides of the monolayer NbSe2,thereby maintaining the out-of-plane mirror symmetry and locking carrier spins out-of-plane.Secondly,fluorination suppresses the charge density wave in monolayer NbSe2 and induces a van Hove singularity in the vicinity of the Fermi level,leading to a marked increase in the number of carriers and,consequently,strengthening the electron-phonon coupling(EPC).Lastly,the appearance of fluorine-related,low-frequency phonon modes further augments the EPC.Our findings suggest a promising avenue to elevate Tc in two-dimensional Ising superconductors without compromising their Ising pairing.

外文关键词：

Ising superconductivitysurface functionalizationupper critical fieldNbSe2first-principles calculations

作者：

WU JiZheng、SHI WuJun、WANG Chong、DUAN WenHui、XU Yong、SI Chen

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作者单位：

School of Materials Science and Engineering,Beihang University,Beijing 100191,China

Center for Transformative Science,ShanghaiTech University,Shanghai 201210,China

Shanghai High Repetition Rate XFEL and Extreme Light Facility(SHINE),ShanghaiTech University,Shanghai 201210,China

State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics,Tsinghua University,Beijing 100084,China

Frontier Science Center for Quantum Information,Beijing 100084,China

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基金：

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaIndependent Research Project of Medical Engineering Laboratory of Chinese PLA General HospitalScience and Technology Commission of Shanghai Municipality(STCSM)Basic science Center Project of NSFCNational Natural Science Foundation of ChinaNational Science Fund for Distinguished Young ScholarsBeijing Advanced Innovation Center for Future Chip(ICFC)Beijing Advanced Innovation Center for Materials Genome Engineering

项目编号：

Grant Nos.12274013118740792022SYSZZKY1022ZR1441800523882011233400312025405

出版年：

2024

DOI：

10.1007/s11431-023-2600-8

中国科学:技术科学(英文版)

中国科学院

中国科学:技术科学(英文版)

CSTPCDEI

影响因子：1.056

ISSN：1674-7321

年,卷(期)：2024.(7)