Magnetic properties of phthalocyanine-based organometallic nanowire
Using first principles calculations, we investigate the electronic and magnetic properties of transition metal phthalocyanine (M-Pc, M = Cr, Mn, Co, Ni, Cu, and Zn) nanowire (M-PcNW). Our calculations show that Ni-PcNW and Zn-PcNW are nonmagnetic, while Cr-PcNW and Cu-PcNW are antiferromagnetic with...
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| Veröffentlicht in: | Applied physics letters 2012-08, Vol.101 (6), p.62405 |
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| creator | Ma, Yandong Dai, Ying Zhang, Zhenkui Yu, Lin Huang, Baibiao |
| description | Using first principles calculations, we investigate the electronic and magnetic properties of transition metal phthalocyanine (M-Pc, M = Cr, Mn, Co, Ni, Cu, and Zn) nanowire (M-PcNW). Our calculations show that Ni-PcNW and Zn-PcNW are nonmagnetic, while Cr-PcNW and Cu-PcNW are antiferromagnetic with small energy difference and Co-PcNW show paramagnetic due to their long spin coherence length. Most importantly, we predicate that Mn-PcNW frameworks display long-ranged ferromagnetic spin ordering, offering strong spin polarization around Fermi level. Moreover, Mn-PcNW frameworks are half-metals, which make Mn-PcNW frameworks ideal candidates for spintronic devices. These results may shed light on further experimental studies on molecular spintronics. |
| doi_str_mv | 10.1063/1.4744437 |
| format | Article |
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Our calculations show that Ni-PcNW and Zn-PcNW are nonmagnetic, while Cr-PcNW and Cu-PcNW are antiferromagnetic with small energy difference and Co-PcNW show paramagnetic due to their long spin coherence length. Most importantly, we predicate that Mn-PcNW frameworks display long-ranged ferromagnetic spin ordering, offering strong spin polarization around Fermi level. Moreover, Mn-PcNW frameworks are half-metals, which make Mn-PcNW frameworks ideal candidates for spintronic devices. 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Our calculations show that Ni-PcNW and Zn-PcNW are nonmagnetic, while Cr-PcNW and Cu-PcNW are antiferromagnetic with small energy difference and Co-PcNW show paramagnetic due to their long spin coherence length. Most importantly, we predicate that Mn-PcNW frameworks display long-ranged ferromagnetic spin ordering, offering strong spin polarization around Fermi level. Moreover, Mn-PcNW frameworks are half-metals, which make Mn-PcNW frameworks ideal candidates for spintronic devices. 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Our calculations show that Ni-PcNW and Zn-PcNW are nonmagnetic, while Cr-PcNW and Cu-PcNW are antiferromagnetic with small energy difference and Co-PcNW show paramagnetic due to their long spin coherence length. Most importantly, we predicate that Mn-PcNW frameworks display long-ranged ferromagnetic spin ordering, offering strong spin polarization around Fermi level. Moreover, Mn-PcNW frameworks are half-metals, which make Mn-PcNW frameworks ideal candidates for spintronic devices. These results may shed light on further experimental studies on molecular spintronics.</abstract><doi>10.1063/1.4744437</doi></addata></record> |
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| ispartof | Applied physics letters, 2012-08, Vol.101 (6), p.62405 |
| issn | 0003-6951 1077-3118 |
| language | eng |
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| source | AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection |
| subjects | Chromium Copper Magnetic properties Manganese Mathematical analysis Nanomaterials Nanostructure Nanowires Nickel |
| title | Magnetic properties of phthalocyanine-based organometallic nanowire |
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