Hydrogen functionalization induced two-dimensional ferromagnetic semiconductor in Mn di-halide systems
We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY 2 , Y = I, Br, Cl) and hydrogenated systems (MnHY 2 ). The pristine MnY 2 monolayers had a very weak magnetic exchange interaction and we found degenerated magnetic states between ferromagnetic and antife...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2017-11, Vol.19 (43), p.29516-29524 |
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| creator | Umar Farooq, M Khan, Imran Moaied, Mohammed Hong, Jisang |
| description | We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
). The pristine MnY
2
monolayers had a very weak magnetic exchange interaction and we found degenerated magnetic states between ferromagnetic and antiferromagnetic states although the Mn had a high magnetic moment of 5
μ
B
with a finite band gap. However, we found that the electronic band structure and magnetic properties could be significantly altered by functionalization with hydrogen atoms because the degeneracy in the pristine MnY
2
structure was broken and the FM ground state was obtained in all MnHY
2
systems. We obtained a negative spin polarization in the H atom and the magnetic moment of the Mn atom decreased from 5
μ
B
to 4
μ
B
. However, this negative polarization played a pivotal role in inducing a FM ground state in the MnHY
2
systems. Furthermore, the asymmetric spin dependent bang gap in MnHY
2
was also greatly enhanced due to this hydrogenation as compared with that in the pristine MnY
2
systems. This finding suggests that the hydrogenated MnHY
2
can be used as a potential ferromagnetic semiconductor for spintronics.
We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
). |
| doi_str_mv | 10.1039/c7cp05732f |
| format | Article |
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2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
). The pristine MnY
2
monolayers had a very weak magnetic exchange interaction and we found degenerated magnetic states between ferromagnetic and antiferromagnetic states although the Mn had a high magnetic moment of 5
μ
B
with a finite band gap. However, we found that the electronic band structure and magnetic properties could be significantly altered by functionalization with hydrogen atoms because the degeneracy in the pristine MnY
2
structure was broken and the FM ground state was obtained in all MnHY
2
systems. We obtained a negative spin polarization in the H atom and the magnetic moment of the Mn atom decreased from 5
μ
B
to 4
μ
B
. However, this negative polarization played a pivotal role in inducing a FM ground state in the MnHY
2
systems. Furthermore, the asymmetric spin dependent bang gap in MnHY
2
was also greatly enhanced due to this hydrogenation as compared with that in the pristine MnY
2
systems. This finding suggests that the hydrogenated MnHY
2
can be used as a potential ferromagnetic semiconductor for spintronics.
We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
).</description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/c7cp05732f</identifier><identifier>PMID: 29082394</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Antiferromagnetism ; Atomic structure ; Ferromagnetism ; Ground state ; Halides ; Hydrogen atoms ; Hydrogen storage ; Hydrogenation ; Magnetic fields ; Magnetic moments ; Magnetic properties ; Magnetism ; Manganese ; Polarization ; Polarization (spin alignment) ; Spintronics</subject><ispartof>Physical chemistry chemical physics : PCCP, 2017-11, Vol.19 (43), p.29516-29524</ispartof><rights>Copyright Royal Society of Chemistry 2017</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c337t-ab1fb62a66a80bbff51d8de3c9ef1f22be09883805d5d91d26ee32b642143863</citedby><cites>FETCH-LOGICAL-c337t-ab1fb62a66a80bbff51d8de3c9ef1f22be09883805d5d91d26ee32b642143863</cites><orcidid>0000-0002-5895-8700</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/29082394$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Umar Farooq, M</creatorcontrib><creatorcontrib>Khan, Imran</creatorcontrib><creatorcontrib>Moaied, Mohammed</creatorcontrib><creatorcontrib>Hong, Jisang</creatorcontrib><title>Hydrogen functionalization induced two-dimensional ferromagnetic semiconductor in Mn di-halide systems</title><title>Physical chemistry chemical physics : PCCP</title><addtitle>Phys Chem Chem Phys</addtitle><description>We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
). The pristine MnY
2
monolayers had a very weak magnetic exchange interaction and we found degenerated magnetic states between ferromagnetic and antiferromagnetic states although the Mn had a high magnetic moment of 5
μ
B
with a finite band gap. However, we found that the electronic band structure and magnetic properties could be significantly altered by functionalization with hydrogen atoms because the degeneracy in the pristine MnY
2
structure was broken and the FM ground state was obtained in all MnHY
2
systems. We obtained a negative spin polarization in the H atom and the magnetic moment of the Mn atom decreased from 5
μ
B
to 4
μ
B
. However, this negative polarization played a pivotal role in inducing a FM ground state in the MnHY
2
systems. Furthermore, the asymmetric spin dependent bang gap in MnHY
2
was also greatly enhanced due to this hydrogenation as compared with that in the pristine MnY
2
systems. This finding suggests that the hydrogenated MnHY
2
can be used as a potential ferromagnetic semiconductor for spintronics.
We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
).</description><subject>Antiferromagnetism</subject><subject>Atomic structure</subject><subject>Ferromagnetism</subject><subject>Ground state</subject><subject>Halides</subject><subject>Hydrogen atoms</subject><subject>Hydrogen storage</subject><subject>Hydrogenation</subject><subject>Magnetic fields</subject><subject>Magnetic moments</subject><subject>Magnetic properties</subject><subject>Magnetism</subject><subject>Manganese</subject><subject>Polarization</subject><subject>Polarization (spin alignment)</subject><subject>Spintronics</subject><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNpdkc1Lw0AQxRdRbK1evCsBLyJE9yO7SY4SrBUqeug9bHZn65YmW3cTpP71ph9W8DQD7zdvmDcIXRJ8TzDLH1SqVpinjJojNCSJYHGOs-T40KdigM5CWGCMCSfsFA1oD1CWJ0NkJmvt3RyayHSNaq1r5NJ-y00T2UZ3CnTUfrlY2xqasJUjA967Ws4baK2KAtRWuQ3aOt_PRK9NpG380ftoiMI6tFCHc3Ri5DLAxb6O0Gz8NCsm8fTt-aV4nMaKsbSNZUVMJagUQma4qozhRGcamMrBEENpBTjPMpZhrrnOiaYCgNFKJJQkLBNshG53tivvPjsIbVnboGC5lA24LpQk52kqcp4kPXrzD124zvfnhZJigjPOSb9phO52lPIuBA-mXHlbS78uCS434ZdFWrxvwx_38PXesqtq0Af0N-0euNoBPqiD-vc99gPjFIqz</recordid><startdate>20171108</startdate><enddate>20171108</enddate><creator>Umar Farooq, M</creator><creator>Khan, Imran</creator><creator>Moaied, Mohammed</creator><creator>Hong, Jisang</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-5895-8700</orcidid></search><sort><creationdate>20171108</creationdate><title>Hydrogen functionalization induced two-dimensional ferromagnetic semiconductor in Mn di-halide systems</title><author>Umar Farooq, M ; Khan, Imran ; Moaied, Mohammed ; Hong, Jisang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c337t-ab1fb62a66a80bbff51d8de3c9ef1f22be09883805d5d91d26ee32b642143863</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Antiferromagnetism</topic><topic>Atomic structure</topic><topic>Ferromagnetism</topic><topic>Ground state</topic><topic>Halides</topic><topic>Hydrogen atoms</topic><topic>Hydrogen storage</topic><topic>Hydrogenation</topic><topic>Magnetic fields</topic><topic>Magnetic moments</topic><topic>Magnetic properties</topic><topic>Magnetism</topic><topic>Manganese</topic><topic>Polarization</topic><topic>Polarization (spin alignment)</topic><topic>Spintronics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Umar Farooq, M</creatorcontrib><creatorcontrib>Khan, Imran</creatorcontrib><creatorcontrib>Moaied, Mohammed</creatorcontrib><creatorcontrib>Hong, Jisang</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Physical chemistry chemical physics : PCCP</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Umar Farooq, M</au><au>Khan, Imran</au><au>Moaied, Mohammed</au><au>Hong, Jisang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Hydrogen functionalization induced two-dimensional ferromagnetic semiconductor in Mn di-halide systems</atitle><jtitle>Physical chemistry chemical physics : PCCP</jtitle><addtitle>Phys Chem Chem Phys</addtitle><date>2017-11-08</date><risdate>2017</risdate><volume>19</volume><issue>43</issue><spage>29516</spage><epage>29524</epage><pages>29516-29524</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract>We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
). The pristine MnY
2
monolayers had a very weak magnetic exchange interaction and we found degenerated magnetic states between ferromagnetic and antiferromagnetic states although the Mn had a high magnetic moment of 5
μ
B
with a finite band gap. However, we found that the electronic band structure and magnetic properties could be significantly altered by functionalization with hydrogen atoms because the degeneracy in the pristine MnY
2
structure was broken and the FM ground state was obtained in all MnHY
2
systems. We obtained a negative spin polarization in the H atom and the magnetic moment of the Mn atom decreased from 5
μ
B
to 4
μ
B
. However, this negative polarization played a pivotal role in inducing a FM ground state in the MnHY
2
systems. Furthermore, the asymmetric spin dependent bang gap in MnHY
2
was also greatly enhanced due to this hydrogenation as compared with that in the pristine MnY
2
systems. This finding suggests that the hydrogenated MnHY
2
can be used as a potential ferromagnetic semiconductor for spintronics.
We explored the electronic and magnetic properties of two-dimensional manganese di-halides (MnY
2
, Y = I, Br, Cl) and hydrogenated systems (MnHY
2
).</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>29082394</pmid><doi>10.1039/c7cp05732f</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0002-5895-8700</orcidid></addata></record> |
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| ispartof | Physical chemistry chemical physics : PCCP, 2017-11, Vol.19 (43), p.29516-29524 |
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| language | eng |
| recordid | cdi_proquest_journals_2010855188 |
| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Antiferromagnetism Atomic structure Ferromagnetism Ground state Halides Hydrogen atoms Hydrogen storage Hydrogenation Magnetic fields Magnetic moments Magnetic properties Magnetism Manganese Polarization Polarization (spin alignment) Spintronics |
| title | Hydrogen functionalization induced two-dimensional ferromagnetic semiconductor in Mn di-halide systems |
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