First-principles study of ferromagnetic metal Fe5GeTe2

For next-generation flexible spin devices, it is crucial to discover and study novel high Tc two-dimensional (2D) magnetic materials considering their atomic-level thickness and flexural mechanical characteristics. Here, we investigated physical properties of a recently rediscovered ferromagnetic 2D...

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Main Authors: Minwoong Joe, Unchun Yang, Changgu Lee
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2019-12-01
Series:Nano Materials Science
Online Access:http://www.sciencedirect.com/science/article/pii/S2589965119300637
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author Minwoong Joe
Unchun Yang
Changgu Lee
author_facet Minwoong Joe
Unchun Yang
Changgu Lee
author_sort Minwoong Joe
collection DOAJ
description For next-generation flexible spin devices, it is crucial to discover and study novel high Tc two-dimensional (2D) magnetic materials considering their atomic-level thickness and flexural mechanical characteristics. Here, we investigated physical properties of a recently rediscovered ferromagnetic 2D material, Fe5GeTe2, which has near-room temperature Tc, such as stability of monolayer, and electronic and magnetic properties as well as their changes under strain using DFT method. We found that monolayer formation energy of Fe5GeTe2 lies inside the energy range of other 2D materials, and thus successful synthesis of the monolayer is expected. Band structures and density of states (DOS) calculations reveal that monolayer Fe5GeTe2 is metallic and of Stoner-type ferromagnet. Besides, we checked the strain effect on its magnetic properties. The ferromagnetic (FM) coupling is quite robust under biaxial strain and enhanced significantly with the increase of Fe magnetic moment from 1.65 μB to 2.66 μB while the strain increases from zero to +15%. Such a tunable magnetism of Fe5GeTe2 could provide an extra advantage for flexible magnetic device applications.
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spelling doaj.art-c788afde00b04557b9adfccc41cd0ec82022-12-21T17:31:14ZengKeAi Communications Co., Ltd.Nano Materials Science2589-96512019-12-0114299303First-principles study of ferromagnetic metal Fe5GeTe2Minwoong Joe0Unchun Yang1Changgu Lee2School of Mechanical Engineering, Sungkyunkwan University, 2066, Seobu-ro, Jangan-gu, Suwon, Gyeonggi, 16419, South Korea; Corresponding author.School of Software, Chung-Ang University, 84, Heukseok-ro, Dongjak-gu, Seoul, 06974, South KoreaSchool of Mechanical Engineering, Sungkyunkwan University, 2066, Seobu-ro, Jangan-gu, Suwon, Gyeonggi, 16419, South KoreaFor next-generation flexible spin devices, it is crucial to discover and study novel high Tc two-dimensional (2D) magnetic materials considering their atomic-level thickness and flexural mechanical characteristics. Here, we investigated physical properties of a recently rediscovered ferromagnetic 2D material, Fe5GeTe2, which has near-room temperature Tc, such as stability of monolayer, and electronic and magnetic properties as well as their changes under strain using DFT method. We found that monolayer formation energy of Fe5GeTe2 lies inside the energy range of other 2D materials, and thus successful synthesis of the monolayer is expected. Band structures and density of states (DOS) calculations reveal that monolayer Fe5GeTe2 is metallic and of Stoner-type ferromagnet. Besides, we checked the strain effect on its magnetic properties. The ferromagnetic (FM) coupling is quite robust under biaxial strain and enhanced significantly with the increase of Fe magnetic moment from 1.65 μB to 2.66 μB while the strain increases from zero to +15%. Such a tunable magnetism of Fe5GeTe2 could provide an extra advantage for flexible magnetic device applications.http://www.sciencedirect.com/science/article/pii/S2589965119300637
spellingShingle Minwoong Joe
Unchun Yang
Changgu Lee
First-principles study of ferromagnetic metal Fe5GeTe2
Nano Materials Science
title First-principles study of ferromagnetic metal Fe5GeTe2
title_full First-principles study of ferromagnetic metal Fe5GeTe2
title_fullStr First-principles study of ferromagnetic metal Fe5GeTe2
title_full_unstemmed First-principles study of ferromagnetic metal Fe5GeTe2
title_short First-principles study of ferromagnetic metal Fe5GeTe2
title_sort first principles study of ferromagnetic metal fe5gete2
url http://www.sciencedirect.com/science/article/pii/S2589965119300637
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AT unchunyang firstprinciplesstudyofferromagneticmetalfe5gete2
AT changgulee firstprinciplesstudyofferromagneticmetalfe5gete2