Tuning magnetism of monolayer MoS2 by doping vacancy and applying strain
In view of important role of inducing and manipulating the magnetism in two-dimensional materials for the development of low-dimensional spintronic devices, the influences of strain on electronic structure and magnetic properties of commonly observed vacancies doped monolayer MoS2 are investigated u...
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| Veröffentlicht in: | Applied physics letters 2014-03, Vol.104 (13) |
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| container_title | Applied physics letters |
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| creator | Zheng, Huiling Yang, Baishun Wang, Dingdi Han, Ruilin Du, Xiaobo Yan, Yu |
| description | In view of important role of inducing and manipulating the magnetism in two-dimensional materials for the development of low-dimensional spintronic devices, the influences of strain on electronic structure and magnetic properties of commonly observed vacancies doped monolayer MoS2 are investigated using first-principles calculations. It is shown that unstrained VS, VS2, and VMoS3 doped monolayer MoS2 systems are nonmagnetic, while the ground state of unstrained VMoS6 doped system is magnetic and the magnetic moment is contributed mainly by six Mo atoms around VMoS6. In particular, tensile strain can induce magnetic moments in VS, VS2, and VMoS3 doped monolayer MoS2 due to the breaking of Mo–Mo metallic bonds around the vacancies, while the magnetization induced by VMoS6 can be effectively manipulated by equibiaxial strain due to the change of Mo–Mo metallic bonds around VMoS6 under strains. |
| doi_str_mv | 10.1063/1.4870532 |
| format | Article |
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It is shown that unstrained VS, VS2, and VMoS3 doped monolayer MoS2 systems are nonmagnetic, while the ground state of unstrained VMoS6 doped system is magnetic and the magnetic moment is contributed mainly by six Mo atoms around VMoS6. In particular, tensile strain can induce magnetic moments in VS, VS2, and VMoS3 doped monolayer MoS2 due to the breaking of Mo–Mo metallic bonds around the vacancies, while the magnetization induced by VMoS6 can be effectively manipulated by equibiaxial strain due to the change of Mo–Mo metallic bonds around VMoS6 under strains.</description><identifier>ISSN: 0003-6951</identifier><identifier>EISSN: 1077-3118</identifier><identifier>DOI: 10.1063/1.4870532</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Chemical bonds ; Electronic structure ; First principles ; Magnetic moments ; Magnetic properties ; Magnetism ; Molybdenum disulfide ; Monolayers ; Tensile strain ; Vacancies</subject><ispartof>Applied physics letters, 2014-03, Vol.104 (13)</ispartof><rights>2014 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c323t-749f8daca661295d9f652bc6be4fcfee4ed79a4f4789a248678131a7ec44de373</citedby><cites>FETCH-LOGICAL-c323t-749f8daca661295d9f652bc6be4fcfee4ed79a4f4789a248678131a7ec44de373</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785,27928,27929</link.rule.ids></links><search><creatorcontrib>Zheng, Huiling</creatorcontrib><creatorcontrib>Yang, Baishun</creatorcontrib><creatorcontrib>Wang, Dingdi</creatorcontrib><creatorcontrib>Han, Ruilin</creatorcontrib><creatorcontrib>Du, Xiaobo</creatorcontrib><creatorcontrib>Yan, Yu</creatorcontrib><title>Tuning magnetism of monolayer MoS2 by doping vacancy and applying strain</title><title>Applied physics letters</title><description>In view of important role of inducing and manipulating the magnetism in two-dimensional materials for the development of low-dimensional spintronic devices, the influences of strain on electronic structure and magnetic properties of commonly observed vacancies doped monolayer MoS2 are investigated using first-principles calculations. It is shown that unstrained VS, VS2, and VMoS3 doped monolayer MoS2 systems are nonmagnetic, while the ground state of unstrained VMoS6 doped system is magnetic and the magnetic moment is contributed mainly by six Mo atoms around VMoS6. In particular, tensile strain can induce magnetic moments in VS, VS2, and VMoS3 doped monolayer MoS2 due to the breaking of Mo–Mo metallic bonds around the vacancies, while the magnetization induced by VMoS6 can be effectively manipulated by equibiaxial strain due to the change of Mo–Mo metallic bonds around VMoS6 under strains.</description><subject>Applied physics</subject><subject>Chemical bonds</subject><subject>Electronic structure</subject><subject>First principles</subject><subject>Magnetic moments</subject><subject>Magnetic properties</subject><subject>Magnetism</subject><subject>Molybdenum disulfide</subject><subject>Monolayers</subject><subject>Tensile strain</subject><subject>Vacancies</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNotkEFLwzAcxYMoOKcHv0HAk4fO_JM0SY8ydBMmHpznkKbJ6FiTmnRCv70d2-nxHj_eg4fQI5AFEMFeYMGVJCWjV2gGRMqCAahrNCOEsEJUJdyiu5z3ky0pYzO03h5DG3a4M7vghjZ3OHrcxRAPZnQJf8ZviusRN7E_UX_GmmBHbEKDTd8fxlOYh2TacI9uvDlk93DROfp5f9su18Xma_WxfN0UllE2FJJXXjVTjRBAq7KpvChpbUXtuLfeOe4aWRnuuVSVoVwJqYCBkc5y3jgm2Rw9nXv7FH-PLg96H48pTJOaApVClUTxiXo-UzbFnJPzuk9tZ9KogejTURr05Sj2D3B8WeA</recordid><startdate>20140331</startdate><enddate>20140331</enddate><creator>Zheng, Huiling</creator><creator>Yang, Baishun</creator><creator>Wang, Dingdi</creator><creator>Han, Ruilin</creator><creator>Du, Xiaobo</creator><creator>Yan, Yu</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20140331</creationdate><title>Tuning magnetism of monolayer MoS2 by doping vacancy and applying strain</title><author>Zheng, Huiling ; Yang, Baishun ; Wang, Dingdi ; Han, Ruilin ; Du, Xiaobo ; Yan, Yu</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c323t-749f8daca661295d9f652bc6be4fcfee4ed79a4f4789a248678131a7ec44de373</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Applied physics</topic><topic>Chemical bonds</topic><topic>Electronic structure</topic><topic>First principles</topic><topic>Magnetic moments</topic><topic>Magnetic properties</topic><topic>Magnetism</topic><topic>Molybdenum disulfide</topic><topic>Monolayers</topic><topic>Tensile strain</topic><topic>Vacancies</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zheng, Huiling</creatorcontrib><creatorcontrib>Yang, Baishun</creatorcontrib><creatorcontrib>Wang, Dingdi</creatorcontrib><creatorcontrib>Han, Ruilin</creatorcontrib><creatorcontrib>Du, Xiaobo</creatorcontrib><creatorcontrib>Yan, Yu</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zheng, Huiling</au><au>Yang, Baishun</au><au>Wang, Dingdi</au><au>Han, Ruilin</au><au>Du, Xiaobo</au><au>Yan, Yu</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Tuning magnetism of monolayer MoS2 by doping vacancy and applying strain</atitle><jtitle>Applied physics letters</jtitle><date>2014-03-31</date><risdate>2014</risdate><volume>104</volume><issue>13</issue><issn>0003-6951</issn><eissn>1077-3118</eissn><abstract>In view of important role of inducing and manipulating the magnetism in two-dimensional materials for the development of low-dimensional spintronic devices, the influences of strain on electronic structure and magnetic properties of commonly observed vacancies doped monolayer MoS2 are investigated using first-principles calculations. It is shown that unstrained VS, VS2, and VMoS3 doped monolayer MoS2 systems are nonmagnetic, while the ground state of unstrained VMoS6 doped system is magnetic and the magnetic moment is contributed mainly by six Mo atoms around VMoS6. In particular, tensile strain can induce magnetic moments in VS, VS2, and VMoS3 doped monolayer MoS2 due to the breaking of Mo–Mo metallic bonds around the vacancies, while the magnetization induced by VMoS6 can be effectively manipulated by equibiaxial strain due to the change of Mo–Mo metallic bonds around VMoS6 under strains.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.4870532</doi></addata></record> |
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| ispartof | Applied physics letters, 2014-03, Vol.104 (13) |
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| language | eng |
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| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Applied physics Chemical bonds Electronic structure First principles Magnetic moments Magnetic properties Magnetism Molybdenum disulfide Monolayers Tensile strain Vacancies |
| title | Tuning magnetism of monolayer MoS2 by doping vacancy and applying strain |
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