Blase X, Adessi Ch, Connétable D
Laboratoire de Physique de la Matière Condensée et des Nanostructures (LPMCN), CNRS and Université Claude Bernard Lyon I, UMR 5586, Bâtiment Brillouin, 43 Bd du 11 Novembre 1918, 69622 Villeurbanne Cedex, France.
Phys Rev Lett. 2004 Dec 3;93(23):237004. doi: 10.1103/PhysRevLett.93.237004. Epub 2004 Nov 30.
We present an ab initio study of the recently discovered superconductivity of boron doped diamond within the framework of a phonon-mediated pairing mechanism. The role of the dopant, in substitutional position, is unconventional in that half of the coupling parameter lambda originates in strongly localized defect-related vibrational modes, yielding a very peaked Eliashberg alpha2F(omega) function. The electron-phonon coupling potential is found to be extremely large, and T(C) is limited by the low value of the density of states at the Fermi level. The effect of boron isotope substitution is explored.
我们在声子介导的配对机制框架内，对最近发现的硼掺杂金刚石的超导性进行了从头算研究。处于替代位置的掺杂剂的作用是非传统的，因为耦合参数λ的一半源自与缺陷相关的强局域振动模式，从而产生了一个非常尖锐的埃利亚什贝格α2F(ω)函数。发现电子-声子耦合势极大，并且超导转变温度T(C)受费米能级处态密度低值的限制。我们还探讨了硼同位素替代的影响。
