First-Principles Prediction of Superconductivity in Hole Doping of MgCN2

被引：1

作者：

Miao, Rende ^{[1
]}

Hao, Xiaofeng ^{[2
]}

Wu, Sixuan ^{[3
,4
]}

Li, Bin ^{[3
,4
]}

Yang, Jun ^{[1
]}

机构：

[1] PLA Univ Sci & Technol, Coll Sci, Nanjing 211101, Peoples R China

[2] Nanjing Univ Posts & Telecommun, Coll Elect & Opt Engn, Nanjing 210023, Peoples R China

[3] Nanjing Univ Posts & Telecommun, New Energy Technol Engn Lab Jiangsu Prov, Nanjing 210023, Peoples R China

[4] Nanjing Univ Posts & Telecommun, Sch Sci, Nanjing 210023, Peoples R China

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2022年 / 35卷 / 02期

基金：

中国国家自然科学基金;

关键词：

Superconductors; Electronic band structure; Electron-phonon interactions; First-principles; TEMPERATURE;

D O I：

10.1007/s10948-022-06156-1

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Hydrogen-based, boron-based, and carbon-based compounds have been the focus of previous investigations in the process of searching for electron-phonon high temperature superconductors. In this paper, the exploration of superconductivity of the hole doping of metal covalent carbon- nitrogen compound MgCN2 within virtual-crystal approximation treatment is proposed based on first-principles calculations. For the hole-doped -Mg0.9Li0.1CN2, the electron-phonon coupling strength lambda and the superconducting transition temperature T-C are predicted to be 0.66 and 14.4 K, respectively. This shows that the metal covalent carbon-nitrogen compound is a potential candidate for electron-phonon superconducting material.

引用

页码：339 / 343

页数：5

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