Superconductivity in two-dimensional phosphorus carbide (β0-PC)†,Physical Chemistry Chemical Physics

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Superconductivity in two-dimensional phosphorus carbide (β0-PC)†
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-04-27 00:00:00 , DOI: 10.1039/c8cp00697k
Bao-Tian Wang _{1,

2,

3,

4,

5} , Peng-Fei Liu _{1,

2,

3,

4,

5} , Tao Bo _{1,

2,

3,

4,

5} , Wen Yin _{1,

2,

3,

4,

5} , Olle Eriksson _{6,

7,

8,

9,

10} , Jijun Zhao _{4,

11,

12,

13,

14} , Fangwei Wang _{4,

5,

15,

16,

17}

Affiliation

Institute of High Energy Physics
Chinese Academy of Sciences (CAS)
Beijing 100049
China
Dongguan Institute of Neutron Science (DINS)
Department of Physics and Astronomy
Division of Materials Theory
Uppsala University
SE-75120 Uppsala
Sweden
Key Laboratory of Materials Modication by Laser
Ion and Electron Beams (Dalian University of Technology)
Ministry of Education
Dalian 116024
Dongguan 523808
Beijing National Laboratory for Condensed Matter Physics
Institute of Physics

Two-dimensional (2D) boron has been predicted to show superconductivity. However, intrinsic 2D carbon and phosphorus have not been reported to be superconductors, which has inspired us to study the superconductivity of their mixture. Here we performed first-principles calculations for the electronic structure, phonon dispersion, and electron–phonon coupling of the metallic phosphorus carbide monolayer, β₀-PC. The results show that it is an intrinsic phonon-mediated superconductor, with an estimated superconducting temperature T_c of ∼13 K. The main contribution to the electron–phonon coupling is from the out-of-plane vibrations of phosphorus. A Kohn anomaly on the first acoustic branch is observed. The superconducting related physical quantities are found to be tunable by applying strain or by carrier doping.

中文翻译：

超导在二维磷碳化物（β ₀ -PC）†

二维（2D）硼已被预测会显示出超导性。但是，尚未报道固有的二维碳和磷是超导体，这启发了我们研究其混合物的超导性。在这里，我们进行第一原理计算的电子结构，声子色散，并且所述金属碳化物磷单层的电子-声子耦合，β ₀ -PC。结果表明，它是一种固有的声子介导的超导体，估计的超导温度为T _c。约13K。对电子-声子耦合的主要贡献来自磷的平面外振动。在第一声支上观察到Kohn异常。发现通过施加应变或通过载流子掺杂，超导相关的物理量是可调谐的。

更新日期：2018-04-27

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