Computationally predicting spin semiconductors and half metals from doped phosphorene monolayers
First-principles computations are performed to investigate phosphorene monolayers doped with 30 metal and nonmetal atoms. The binding energies indicate the stability of all doped configurations. Interestingly, the magnetic atom Co doping induces the absence of the magnetism while the magnetism is re...
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| Veröffentlicht in: | Frontiers of physics 2019-08, Vol.14 (4), p.43604, Article 43604 |
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| creator | Feng, Jing-Hua Li, Geng Meng, Xiang-Fei Jian, Xiao-Dong Dai, Zhen-Hong Zhao, Yin-Chang Zhou, Zhen |
| description | First-principles computations are performed to investigate phosphorene monolayers doped with 30 metal and nonmetal atoms. The binding energies indicate the stability of all doped configurations. Interestingly, the magnetic atom Co doping induces the absence of the magnetism while the magnetism is realized in phosphorene with substitutional doping of nonmagnetic atoms (O, S, Se, Si, Br, and Cl). The magnetic moment of transition metal (TM)-doped systems is suppressed in the range of 1.0-3.97 μ B. The electronic properties of the doped systems are modulated differently; O, S, Se, Ni, and Ti doped systems become spin semiconductors, while V doping makes the system a half metal. These results demonstrate potential applications of functionalized phosphorene with external atoms, in particular to spintronics and dilute magnetic semiconductors. |
| doi_str_mv | 10.1007/s11467-019-0904-5 |
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The binding energies indicate the stability of all doped configurations. Interestingly, the magnetic atom Co doping induces the absence of the magnetism while the magnetism is realized in phosphorene with substitutional doping of nonmagnetic atoms (O, S, Se, Si, Br, and Cl). The magnetic moment of transition metal (TM)-doped systems is suppressed in the range of 1.0-3.97 μ B. The electronic properties of the doped systems are modulated differently; O, S, Se, Ni, and Ti doped systems become spin semiconductors, while V doping makes the system a half metal. These results demonstrate potential applications of functionalized phosphorene with external atoms, in particular to spintronics and dilute magnetic semiconductors.</description><identifier>ISSN: 2095-0462</identifier><identifier>EISSN: 2095-0470</identifier><identifier>DOI: 10.1007/s11467-019-0904-5</identifier><language>eng</language><publisher>Beijing: Higher Education Press</publisher><subject>Astronomy ; Astrophysics and Cosmology ; Atomic ; Condensed Matter Physics ; density functional theory ; Doping ; Electronic properties ; Electrons ; Energy ; First principles ; Graphene ; half metals ; Magnetic moments ; Magnetic semiconductors ; Magnetism ; Metals ; Molecular ; Monolayers ; Optical and Plasma Physics ; Particle and Nuclear Physics ; Phosphorene ; Phosphorus ; Physics ; Physics and Astronomy ; Research Article ; Semiconductors ; spin semiconductors ; Spintronics ; Transition metals</subject><ispartof>Frontiers of physics, 2019-08, Vol.14 (4), p.43604, Article 43604</ispartof><rights>Copyright reserved, 2019, Higher Education Press and Springer-Verlag GmbH Germany, part of Springer Nature</rights><rights>Higher Education Press and Springer-Verlag GmbH Germany, part of Springer Nature 2019</rights><rights>Higher Education Press and Springer-Verlag GmbH Germany, part of Springer Nature 2019.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c408t-3adb8a9b1ce6b354af617fbed3842a943e53dca489434b0d5a9a22510c496aa03</citedby><cites>FETCH-LOGICAL-c408t-3adb8a9b1ce6b354af617fbed3842a943e53dca489434b0d5a9a22510c496aa03</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11467-019-0904-5$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://www.proquest.com/docview/2918609746?pq-origsite=primo$$EHTML$$P50$$Gproquest$$H</linktohtml><link.rule.ids>315,781,785,21390,21391,21392,21393,23258,27926,27927,33532,33705,33746,34007,34316,41490,42559,43661,43789,43807,43955,44069,51321,64387,64391,72471</link.rule.ids></links><search><creatorcontrib>Feng, Jing-Hua</creatorcontrib><creatorcontrib>Li, Geng</creatorcontrib><creatorcontrib>Meng, Xiang-Fei</creatorcontrib><creatorcontrib>Jian, Xiao-Dong</creatorcontrib><creatorcontrib>Dai, Zhen-Hong</creatorcontrib><creatorcontrib>Zhao, Yin-Chang</creatorcontrib><creatorcontrib>Zhou, Zhen</creatorcontrib><title>Computationally predicting spin semiconductors and half metals from doped phosphorene monolayers</title><title>Frontiers of physics</title><addtitle>Front. Phys</addtitle><description>First-principles computations are performed to investigate phosphorene monolayers doped with 30 metal and nonmetal atoms. The binding energies indicate the stability of all doped configurations. Interestingly, the magnetic atom Co doping induces the absence of the magnetism while the magnetism is realized in phosphorene with substitutional doping of nonmagnetic atoms (O, S, Se, Si, Br, and Cl). The magnetic moment of transition metal (TM)-doped systems is suppressed in the range of 1.0-3.97 μ B. The electronic properties of the doped systems are modulated differently; O, S, Se, Ni, and Ti doped systems become spin semiconductors, while V doping makes the system a half metal. These results demonstrate potential applications of functionalized phosphorene with external atoms, in particular to spintronics and dilute magnetic semiconductors.</description><subject>Astronomy</subject><subject>Astrophysics and Cosmology</subject><subject>Atomic</subject><subject>Condensed Matter Physics</subject><subject>density functional theory</subject><subject>Doping</subject><subject>Electronic properties</subject><subject>Electrons</subject><subject>Energy</subject><subject>First principles</subject><subject>Graphene</subject><subject>half metals</subject><subject>Magnetic moments</subject><subject>Magnetic semiconductors</subject><subject>Magnetism</subject><subject>Metals</subject><subject>Molecular</subject><subject>Monolayers</subject><subject>Optical and Plasma Physics</subject><subject>Particle and Nuclear Physics</subject><subject>Phosphorene</subject><subject>Phosphorus</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Research Article</subject><subject>Semiconductors</subject><subject>spin semiconductors</subject><subject>Spintronics</subject><subject>Transition metals</subject><issn>2095-0462</issn><issn>2095-0470</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><recordid>eNp9kE1LxDAQhoMouKz7A7wFPFcnbfqRoyx-wYIXPcc0SbdZ2qQm6WH_vVkqetvDMDPwPgPzIHRL4J4A1A-BEFrVGRCWAQOalRdolQMrM6A1XP7NVX6NNiEcAICQmqZ9hb62bpzmKKJxVgzDEU9eKyOjsXscJmNx0KORzqpZRucDFlbhXgwdHnUUQ8CddyNWbtIKT70Lqby2Go_OukEctQ836KpLQb357Wv0-fz0sX3Ndu8vb9vHXSYpNDErhGobwVoiddUWJRVdRequ1apoaC4YLXRZKClok0bagioFE3leEpCUVUJAsUZ3y93Ju-9Zh8gPbvbpp8BzRpoKWE2rlCJLSnoXgtcdn7wZhT9yAvzkki8ueXLJTy55mZh8YULK2r32_5fPQc0C9Wbf6-Q0eQ2BJ102mqTlDPoDg8aK4w</recordid><startdate>20190801</startdate><enddate>20190801</enddate><creator>Feng, Jing-Hua</creator><creator>Li, Geng</creator><creator>Meng, Xiang-Fei</creator><creator>Jian, Xiao-Dong</creator><creator>Dai, Zhen-Hong</creator><creator>Zhao, Yin-Chang</creator><creator>Zhou, Zhen</creator><general>Higher Education Press</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7XB</scope><scope>88I</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>ARAPS</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>BHPHI</scope><scope>BKSAR</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>M2P</scope><scope>P5Z</scope><scope>P62</scope><scope>PCBAR</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>Q9U</scope></search><sort><creationdate>20190801</creationdate><title>Computationally predicting spin semiconductors and half metals from doped phosphorene monolayers</title><author>Feng, Jing-Hua ; Li, Geng ; Meng, Xiang-Fei ; Jian, Xiao-Dong ; Dai, Zhen-Hong ; Zhao, Yin-Chang ; Zhou, Zhen</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c408t-3adb8a9b1ce6b354af617fbed3842a943e53dca489434b0d5a9a22510c496aa03</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Astronomy</topic><topic>Astrophysics and Cosmology</topic><topic>Atomic</topic><topic>Condensed Matter Physics</topic><topic>density functional theory</topic><topic>Doping</topic><topic>Electronic properties</topic><topic>Electrons</topic><topic>Energy</topic><topic>First principles</topic><topic>Graphene</topic><topic>half metals</topic><topic>Magnetic moments</topic><topic>Magnetic semiconductors</topic><topic>Magnetism</topic><topic>Metals</topic><topic>Molecular</topic><topic>Monolayers</topic><topic>Optical and Plasma Physics</topic><topic>Particle and Nuclear Physics</topic><topic>Phosphorene</topic><topic>Phosphorus</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Research Article</topic><topic>Semiconductors</topic><topic>spin semiconductors</topic><topic>Spintronics</topic><topic>Transition metals</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Feng, Jing-Hua</creatorcontrib><creatorcontrib>Li, Geng</creatorcontrib><creatorcontrib>Meng, Xiang-Fei</creatorcontrib><creatorcontrib>Jian, Xiao-Dong</creatorcontrib><creatorcontrib>Dai, Zhen-Hong</creatorcontrib><creatorcontrib>Zhao, Yin-Chang</creatorcontrib><creatorcontrib>Zhou, Zhen</creatorcontrib><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Science Database (Alumni Edition)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>Advanced Technologies & Aerospace Collection</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>Natural Science Collection</collection><collection>Earth, Atmospheric & Aquatic Science Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>Science Database</collection><collection>Advanced Technologies & Aerospace Database</collection><collection>ProQuest Advanced Technologies & Aerospace Collection</collection><collection>Earth, Atmospheric & Aquatic Science Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central Basic</collection><jtitle>Frontiers of physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Feng, Jing-Hua</au><au>Li, Geng</au><au>Meng, Xiang-Fei</au><au>Jian, Xiao-Dong</au><au>Dai, Zhen-Hong</au><au>Zhao, Yin-Chang</au><au>Zhou, Zhen</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Computationally predicting spin semiconductors and half metals from doped phosphorene monolayers</atitle><jtitle>Frontiers of physics</jtitle><stitle>Front. Phys</stitle><date>2019-08-01</date><risdate>2019</risdate><volume>14</volume><issue>4</issue><spage>43604</spage><pages>43604-</pages><artnum>43604</artnum><issn>2095-0462</issn><eissn>2095-0470</eissn><abstract>First-principles computations are performed to investigate phosphorene monolayers doped with 30 metal and nonmetal atoms. The binding energies indicate the stability of all doped configurations. Interestingly, the magnetic atom Co doping induces the absence of the magnetism while the magnetism is realized in phosphorene with substitutional doping of nonmagnetic atoms (O, S, Se, Si, Br, and Cl). The magnetic moment of transition metal (TM)-doped systems is suppressed in the range of 1.0-3.97 μ B. The electronic properties of the doped systems are modulated differently; O, S, Se, Ni, and Ti doped systems become spin semiconductors, while V doping makes the system a half metal. These results demonstrate potential applications of functionalized phosphorene with external atoms, in particular to spintronics and dilute magnetic semiconductors.</abstract><cop>Beijing</cop><pub>Higher Education Press</pub><doi>10.1007/s11467-019-0904-5</doi><oa>free_for_read</oa></addata></record> |
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| subjects | Astronomy Astrophysics and Cosmology Atomic Condensed Matter Physics density functional theory Doping Electronic properties Electrons Energy First principles Graphene half metals Magnetic moments Magnetic semiconductors Magnetism Metals Molecular Monolayers Optical and Plasma Physics Particle and Nuclear Physics Phosphorene Phosphorus Physics Physics and Astronomy Research Article Semiconductors spin semiconductors Spintronics Transition metals |
| title | Computationally predicting spin semiconductors and half metals from doped phosphorene monolayers |
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