Strain-tunable magnetic and electronic properties of a CuCl monolayer
Recently, theoretical search has found that a two-dimensional CuCl 3 monolayer is a ferromagnetic semiconductor. Here, we apply density functional theory to study its geometrical structure, magnetic and electronic properties under the influence of a biaxial strain . It is found that the CuCl 3 monol...
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Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2022-07, Vol.24 (28), p.17329-17336 |
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creator | Lin, Like Liu, Hanlu Huang, Yineng Long, Weiyu Zhou, Jian Yao, Xue Jiang, Qing Lu, Haiming |
description | Recently, theoretical search has found that a two-dimensional CuCl
3
monolayer is a ferromagnetic semiconductor. Here, we apply density functional theory to study its geometrical structure, magnetic and electronic properties under the influence of a biaxial strain
. It is found that the CuCl
3
monolayer exhibits ferromagnetic ordering at the ground state with
= 0 and its Curie temperature increases monotonously with respect to the biaxial strain, which can be increased to about 100 K at 10% tensile strain. When a compressive strain of about 6.8% is applied, a transition from the ferromagnetic to the antiferromagnetic state occurs. In addition to the transition of the magnetic ground state, the electronic band gaps of spin-up and spin-down electrons undergo direct-indirect and indirect-direct-indirect transitions at the tensile strains, respectively. The tunable magnetic and electronic properties investigated in this work are helpful in understanding the magnetism in the CuCl
3
monolayer, which is useful for the design of spintronic devices based on ferromagnetic semiconductors.
The CuCl
3
monolayer exhibits ferromagnetic (FM) ordering at the ground state and has a transition to the antiferromagnetic (AFM) state when the strain is smaller than −6.8%. The Curie temperature (Tc) varies monotonously with the biaxial strain. |
doi_str_mv | 10.1039/d2cp01510b |
format | Article |
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3
monolayer is a ferromagnetic semiconductor. Here, we apply density functional theory to study its geometrical structure, magnetic and electronic properties under the influence of a biaxial strain
. It is found that the CuCl
3
monolayer exhibits ferromagnetic ordering at the ground state with
= 0 and its Curie temperature increases monotonously with respect to the biaxial strain, which can be increased to about 100 K at 10% tensile strain. When a compressive strain of about 6.8% is applied, a transition from the ferromagnetic to the antiferromagnetic state occurs. In addition to the transition of the magnetic ground state, the electronic band gaps of spin-up and spin-down electrons undergo direct-indirect and indirect-direct-indirect transitions at the tensile strains, respectively. The tunable magnetic and electronic properties investigated in this work are helpful in understanding the magnetism in the CuCl
3
monolayer, which is useful for the design of spintronic devices based on ferromagnetic semiconductors.
The CuCl
3
monolayer exhibits ferromagnetic (FM) ordering at the ground state and has a transition to the antiferromagnetic (AFM) state when the strain is smaller than −6.8%. The Curie temperature (Tc) varies monotonously with the biaxial strain.</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/d2cp01510b</identifier><ispartof>Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (28), p.17329-17336</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27915,27916</link.rule.ids></links><search><creatorcontrib>Lin, Like</creatorcontrib><creatorcontrib>Liu, Hanlu</creatorcontrib><creatorcontrib>Huang, Yineng</creatorcontrib><creatorcontrib>Long, Weiyu</creatorcontrib><creatorcontrib>Zhou, Jian</creatorcontrib><creatorcontrib>Yao, Xue</creatorcontrib><creatorcontrib>Jiang, Qing</creatorcontrib><creatorcontrib>Lu, Haiming</creatorcontrib><title>Strain-tunable magnetic and electronic properties of a CuCl monolayer</title><title>Physical chemistry chemical physics : PCCP</title><description>Recently, theoretical search has found that a two-dimensional CuCl
3
monolayer is a ferromagnetic semiconductor. Here, we apply density functional theory to study its geometrical structure, magnetic and electronic properties under the influence of a biaxial strain
. It is found that the CuCl
3
monolayer exhibits ferromagnetic ordering at the ground state with
= 0 and its Curie temperature increases monotonously with respect to the biaxial strain, which can be increased to about 100 K at 10% tensile strain. When a compressive strain of about 6.8% is applied, a transition from the ferromagnetic to the antiferromagnetic state occurs. In addition to the transition of the magnetic ground state, the electronic band gaps of spin-up and spin-down electrons undergo direct-indirect and indirect-direct-indirect transitions at the tensile strains, respectively. The tunable magnetic and electronic properties investigated in this work are helpful in understanding the magnetism in the CuCl
3
monolayer, which is useful for the design of spintronic devices based on ferromagnetic semiconductors.
The CuCl
3
monolayer exhibits ferromagnetic (FM) ordering at the ground state and has a transition to the antiferromagnetic (AFM) state when the strain is smaller than −6.8%. The Curie temperature (Tc) varies monotonously with the biaxial strain.</description><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid/><recordid>eNqFjj0LwjAURYMoWD8WdyF_oJqYWu1cFHfdy2v6KpE0CUk69N-rIDo63Xu4Z7iErDjbcCaKbbOTjvE9Z_WIJDzLRVqwYzb-9kM-JbMQHoy9LZGQ0zV6UCaNvYFaI-3gbjAqScE0FDXK6K15ofPWoY8KA7UtBVr2paadNVbDgH5BJi3ogMtPzsn6fLqVl9QHWTmvOvBD9fsm_u1PFsU8xA</recordid><startdate>20220721</startdate><enddate>20220721</enddate><creator>Lin, Like</creator><creator>Liu, Hanlu</creator><creator>Huang, Yineng</creator><creator>Long, Weiyu</creator><creator>Zhou, Jian</creator><creator>Yao, Xue</creator><creator>Jiang, Qing</creator><creator>Lu, Haiming</creator><scope/></search><sort><creationdate>20220721</creationdate><title>Strain-tunable magnetic and electronic properties of a CuCl monolayer</title><author>Lin, Like ; Liu, Hanlu ; Huang, Yineng ; Long, Weiyu ; Zhou, Jian ; Yao, Xue ; Jiang, Qing ; Lu, Haiming</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-rsc_primary_d2cp01510b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><creationdate>2022</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lin, Like</creatorcontrib><creatorcontrib>Liu, Hanlu</creatorcontrib><creatorcontrib>Huang, Yineng</creatorcontrib><creatorcontrib>Long, Weiyu</creatorcontrib><creatorcontrib>Zhou, Jian</creatorcontrib><creatorcontrib>Yao, Xue</creatorcontrib><creatorcontrib>Jiang, Qing</creatorcontrib><creatorcontrib>Lu, Haiming</creatorcontrib><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lin, Like</au><au>Liu, Hanlu</au><au>Huang, Yineng</au><au>Long, Weiyu</au><au>Zhou, Jian</au><au>Yao, Xue</au><au>Jiang, Qing</au><au>Lu, Haiming</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Strain-tunable magnetic and electronic properties of a CuCl monolayer</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><date>2022-07-21</date><risdate>2022</risdate><volume>24</volume><issue>28</issue><spage>17329</spage><epage>17336</epage><pages>17329-17336</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>Recently, theoretical search has found that a two-dimensional CuCl
3
monolayer is a ferromagnetic semiconductor. Here, we apply density functional theory to study its geometrical structure, magnetic and electronic properties under the influence of a biaxial strain
. It is found that the CuCl
3
monolayer exhibits ferromagnetic ordering at the ground state with
= 0 and its Curie temperature increases monotonously with respect to the biaxial strain, which can be increased to about 100 K at 10% tensile strain. When a compressive strain of about 6.8% is applied, a transition from the ferromagnetic to the antiferromagnetic state occurs. In addition to the transition of the magnetic ground state, the electronic band gaps of spin-up and spin-down electrons undergo direct-indirect and indirect-direct-indirect transitions at the tensile strains, respectively. The tunable magnetic and electronic properties investigated in this work are helpful in understanding the magnetism in the CuCl
3
monolayer, which is useful for the design of spintronic devices based on ferromagnetic semiconductors.
The CuCl
3
monolayer exhibits ferromagnetic (FM) ordering at the ground state and has a transition to the antiferromagnetic (AFM) state when the strain is smaller than −6.8%. The Curie temperature (Tc) varies monotonously with the biaxial strain.</abstract><doi>10.1039/d2cp01510b</doi><tpages>8</tpages></addata></record> |
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title | Strain-tunable magnetic and electronic properties of a CuCl monolayer |
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