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第一性原理预测纯净 B₂C 单层中的二维超导性。

A first-principles prediction of two-dimensional superconductivity in pristine B₂C single layers.

机构信息

Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.

出版信息

Nanoscale. 2012 May 21;4(10):3032-5. doi: 10.1039/c2nr12018f. Epub 2012 Apr 5.

DOI:10.1039/c2nr12018f
PMID:22481534
Abstract

Based on first-principles lattice dynamics and electron-phonon coupling calculations, B(2)C sheets are predicted to be a two-dimensional (2D) phonon-mediated superconductors with a relatively high transition temperature (T(c)). The electron-phonon coupling parameter was calculated to be 0.92 and it is mainly contributed by low frequency out-of-plane phonon modes and electronic states with a π character. When the Coulomb pseudopotential, μ*, is set to 0.10, the estimated temperature, T(c), is 19.2 K. To the best of our knowledge, B(2)C is the first pristine 2D superconductor with a T(c) higher than the boiling point of liquid helium.

摘要

基于第一性原理晶格动力学和电子-声子耦合计算,预测 B(2)C 薄片是一种二维(2D)声子介导的超导体,具有相对较高的转变温度(T(c))。电子-声子耦合参数计算为 0.92,主要由低频率的面外声子模式和具有 π 特征的电子态贡献。当库仑赝势μ*设置为 0.10 时,估计的温度 T(c)为 19.2 K。据我们所知,B(2)C 是第一个具有高于液氦沸点的 T(c)的纯净 2D 超导体。

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