4.6 Article

Strain Effect on the Superconductivity in Borophenes

Journal

JOURNAL OF PHYSICAL CHEMISTRY C
Volume 122, Issue 29, Pages 16916-16924

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.8b03108

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Funding

  1. National Natural Science Foundation of China [11774195, 11704322]
  2. National Key Research and Development Program of China [2016YFB0700102]
  3. Natural Science Foundation of Shandong Province for Doctoral Program [ZR2017BA017]

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The effects of strain on the structure stability, electron-phonon coupling (EPC), and superconductivity of two types of monolayer borophenes realized in the experiments are systematically investigated within the framework of density functional theory. We find that the electron-phonon coupling (EPC) in the buckled triangle borophene can be significantly enhanced by the suitable strain (-2-3%) due to the lower acoustic phonon branch softening. Our calculations suggest that a superconducting transition temperature (T-c) ranging from 24 to 32 K may be observed in the experiment. For the beta(12) borophene, the EPC constant (lambda) and T-c exhibit a U-curve variation with the strain ranging from 0 to 12%. The highest T-c of 14.9 K can be obtained in the pristine structure. The stiffness of the lower acoustic phonon branches and the U-curve variation of N(E-F) mainly from the p(z) electrons of boron are responsible for the change of the superconducting transition temperature with the increase of the tensile strain. Although borophenes have a highly anisotropic structure, the uniaxial strain effect on the superconductivity is isotropic.

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