Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles

Abstract The recent discovery of topological superconductors (TSCs) has sparked enormous interest. The realization of TSC requires a delicate tuning of multiple microscopic parameters, which remains a great challenge. Here, we develop a first-principles approach to quantify realistic conditions of T...

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Autores principales:	Xiaoming Zhang, Kyung-Hwan Jin, Jiahao Mao, Mingwen Zhao, Zheng Liu, Feng Liu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/ef0a112ae68b442cbcb841838412bdab
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spelling	oai:doaj.org-article:ef0a112ae68b442cbcb841838412bdab2021-12-02T16:35:54ZPrediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles10.1038/s41524-021-00511-x2057-3960https://doaj.org/article/ef0a112ae68b442cbcb841838412bdab2021-03-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00511-xhttps://doaj.org/toc/2057-3960Abstract The recent discovery of topological superconductors (TSCs) has sparked enormous interest. The realization of TSC requires a delicate tuning of multiple microscopic parameters, which remains a great challenge. Here, we develop a first-principles approach to quantify realistic conditions of TSC by solving self-consistently Bogoliubov-de Gennes equation based on a Wannier function construction of band structure, in presence of Rashba spin-orbit coupling, Zeeman splitting and electron-phonon coupling. We further demonstrate the power of this method by predicting the Mn-doped GeTe (Ge1-x Mn x Te) monolayer—a well-known dilute magnetic semiconductor showing superconductivity under hole doping—to be a Class D TSC with Chern number of −1 and chiral Majorana edge modes. By constructing a first-principles phase diagram in the parameter space of temperature and Mn concentration, we propose the TSC phase can be induced at a lower-limit transition temperature of ~40 mK and the Mn concentration of x~0.015%. Our approach can be generally applied to TSCs with a phonon-mediated pairing, providing useful guidance for future experiments.Xiaoming ZhangKyung-Hwan JinJiahao MaoMingwen ZhaoZheng LiuFeng LiuNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Xiaoming Zhang Kyung-Hwan Jin Jiahao Mao Mingwen Zhao Zheng Liu Feng Liu Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles
description	Abstract The recent discovery of topological superconductors (TSCs) has sparked enormous interest. The realization of TSC requires a delicate tuning of multiple microscopic parameters, which remains a great challenge. Here, we develop a first-principles approach to quantify realistic conditions of TSC by solving self-consistently Bogoliubov-de Gennes equation based on a Wannier function construction of band structure, in presence of Rashba spin-orbit coupling, Zeeman splitting and electron-phonon coupling. We further demonstrate the power of this method by predicting the Mn-doped GeTe (Ge1-x Mn x Te) monolayer—a well-known dilute magnetic semiconductor showing superconductivity under hole doping—to be a Class D TSC with Chern number of −1 and chiral Majorana edge modes. By constructing a first-principles phase diagram in the parameter space of temperature and Mn concentration, we propose the TSC phase can be induced at a lower-limit transition temperature of ~40 mK and the Mn concentration of x~0.015%. Our approach can be generally applied to TSCs with a phonon-mediated pairing, providing useful guidance for future experiments.
format	article
author	Xiaoming Zhang Kyung-Hwan Jin Jiahao Mao Mingwen Zhao Zheng Liu Feng Liu
author_facet	Xiaoming Zhang Kyung-Hwan Jin Jiahao Mao Mingwen Zhao Zheng Liu Feng Liu
author_sort	Xiaoming Zhang
title	Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles
title_short	Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles
title_full	Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles
title_fullStr	Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles
title_full_unstemmed	Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles
title_sort	prediction of intrinsic topological superconductivity in mn-doped gete monolayer from first-principles
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ef0a112ae68b442cbcb841838412bdab
work_keys_str_mv	AT xiaomingzhang predictionofintrinsictopologicalsuperconductivityinmndopedgetemonolayerfromfirstprinciples AT kyunghwanjin predictionofintrinsictopologicalsuperconductivityinmndopedgetemonolayerfromfirstprinciples AT jiahaomao predictionofintrinsictopologicalsuperconductivityinmndopedgetemonolayerfromfirstprinciples AT mingwenzhao predictionofintrinsictopologicalsuperconductivityinmndopedgetemonolayerfromfirstprinciples AT zhengliu predictionofintrinsictopologicalsuperconductivityinmndopedgetemonolayerfromfirstprinciples AT fengliu predictionofintrinsictopologicalsuperconductivityinmndopedgetemonolayerfromfirstprinciples
_version_	1718383728380608512

Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles

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