Feng Yanqing, Sun Hongyi, Sun Junhui, Lu Zhibin, You Yong
School of Applied Science and Civil Engineering, Beijing Institute of Technology, Zhuhai, Zhuhai 519085, People's Republic of China.
J Phys Condens Matter. 2018 Jan 10;30(1):015601. doi: 10.1088/1361-648X/aa9a5f.
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 ~ 10 K, which is comparable to MgB 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.
我们通过密度泛函计算研究了空穴掺杂黑磷的传统电子 - 声子介导超导特性，得到了相当大的电子 - 声子耦合（EPC）常数λ约为1.0，转变温度T约为10 K，当空穴被掺杂到费米能级附近的简并且近乎平坦的能带中时，这一结果与MgB相当。我们预测，低频[公式：见正文]光学模式的软化及其声子位移，打破了滑移面的晶格非对称对称性并解除了能带双重简并，导致了较大的EPC。这些因素有利于BCS超导。
