【摘 要】
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Based on density functional first-principles calculations and anisotropic Eliashberg equations,we have investigated the electronic structure,lattice dynamics,an
【机 构】
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Department of Physics,School of Physical Science and Technology,Ningbo University,Ningbo 315211,Chin
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Based on density functional first-principles calculations and anisotropic Eliashberg equations,we have investigated the electronic structure,lattice dynamics,and phonon-mediated superconductivity in newly synthesized layered compound SrBC under pressure.Different from LiBC and MgB2,our calculations surprisingly reveal that SrBC is isotropic in com-pressibility,due to the accumulation of substantial electrons in the interstitial region.We find that the Sr phonons strongly couple with B-2pz orbital and the interstitial states,giving rise to a two-gap superconductivity in SrBC,whose transition temperature shows an inverted V-shaped dependence on pressure.The maximal transition temperature is about 22 K at 50 GPa.On both sides of 50 GPa,the transition temperature exhibits quasi-linear variation with positive and negative slopes,respectively.Such a variation of transition temperature is infrequent among phonon-mediated superconductors.The competition between enhanced electron-phonon matrix element and hardened phonons plays an essential role in governing the behavior of the critical temperature.
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