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Prediction of phonon-mediated superconductivity in hole-doped black phosphorus
Yanqing Feng1, Hongyi Sun2,3,4, Junhui Sun5
1School of Applied Science and Civil Engineering, Beijing Institute of Technology, Zhuhai, Zhuhai 519085, People's Republic of China.
Abstract:
We study the conventional electron-phonon mediated superconducting properties of hole-doped black phosphorus by density functional calculations and get quite a large electron-phonon coupling (EPC) constant λ ~ 1.0 with transition temperature T C ~ 10 K, which is comparable to MgB2 when holes are doped into the degenerate and nearly flat energy bands around the Fermi level. We predict that the softening of low-frequency [Formula: see text] optical mode and its phonon displacement, which breaks the lattice nonsymmorphic symmetry of gliding plane and lifts the band double degeneracy, lead to a large EPC. These factors are favorable for BCS superconductivity.
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