Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption
Control over spin states at the single molecule level is a key issue in the emerging field of molecular spintronics. Here, we explore the chemical adsorption effect on the magnetic and spin-transport properties of individual magnetic molecule by performing extensive density functional theory calcula...
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| Format: | Article |
| Language: | English |
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MDPI AG
2019-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/24/9/1747 |
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| author | Feifei Li Jing Huang Jianing Wang Qunxiang Li |
| author_facet | Feifei Li Jing Huang Jianing Wang Qunxiang Li |
| author_sort | Feifei Li |
| collection | DOAJ |
| description | Control over spin states at the single molecule level is a key issue in the emerging field of molecular spintronics. Here, we explore the chemical adsorption effect on the magnetic and spin-transport properties of individual magnetic molecule by performing extensive density functional theory calculations in combining with non-equilibrium Green’s function method. Theoretical results clearly reveal that the molecular magnetic moment of Mn-salophen can be effectively tuned by adsorbing F and CO on the central Mn cation, while the adsorbed NO molecule quenches the molecular magnetic moment. Without chemical adsorption, the currents through Mn-salophen molecular junction just show a little distinction for two spin channels, which agrees well with previous investigation. Remarkably, the conductive channel can be switched from the spin-up electrons to the spin-down electrons via adsorbing F and CO, respectively, and the corresponding two Mn-salophen molecular junctions with chemical modifications display nearly perfect spin-filtering effect. The observed spin switch and the predicted spin-filtering effect via chemical adsorption indicates that Mn-salophen holds potential applications in molecular spintronic devices. |
| first_indexed | 2024-04-14T07:34:19Z |
| format | Article |
| id | doaj.art-cc0e16d729fd48108085a75a1b74fbae |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-04-14T07:34:19Z |
| publishDate | 2019-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-cc0e16d729fd48108085a75a1b74fbae2022-12-22T02:05:44ZengMDPI AGMolecules1420-30492019-05-01249174710.3390/molecules24091747molecules24091747Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical AdsorptionFeifei Li0Jing Huang1Jianing Wang2Qunxiang Li3School of Materials and Chemical Engineering, Anhui Jianzhu University, Hefei 230601, Anhui, ChinaSchool of Materials and Chemical Engineering, Anhui Jianzhu University, Hefei 230601, Anhui, ChinaDepartment of Chemical Physics, University of Science and Technology of China, Hefei 230026, Anhui, ChinaDepartment of Chemical Physics, University of Science and Technology of China, Hefei 230026, Anhui, ChinaControl over spin states at the single molecule level is a key issue in the emerging field of molecular spintronics. Here, we explore the chemical adsorption effect on the magnetic and spin-transport properties of individual magnetic molecule by performing extensive density functional theory calculations in combining with non-equilibrium Green’s function method. Theoretical results clearly reveal that the molecular magnetic moment of Mn-salophen can be effectively tuned by adsorbing F and CO on the central Mn cation, while the adsorbed NO molecule quenches the molecular magnetic moment. Without chemical adsorption, the currents through Mn-salophen molecular junction just show a little distinction for two spin channels, which agrees well with previous investigation. Remarkably, the conductive channel can be switched from the spin-up electrons to the spin-down electrons via adsorbing F and CO, respectively, and the corresponding two Mn-salophen molecular junctions with chemical modifications display nearly perfect spin-filtering effect. The observed spin switch and the predicted spin-filtering effect via chemical adsorption indicates that Mn-salophen holds potential applications in molecular spintronic devices.https://www.mdpi.com/1420-3049/24/9/1747spin-filteringspin switchchemical adsorptionmagnetismelectronic structure |
| spellingShingle | Feifei Li Jing Huang Jianing Wang Qunxiang Li Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption Molecules spin-filtering spin switch chemical adsorption magnetism electronic structure |
| title | Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption |
| title_full | Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption |
| title_fullStr | Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption |
| title_full_unstemmed | Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption |
| title_short | Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption |
| title_sort | spin transport tuning of individual magnetic mn salophen molecule via chemical adsorption |
| topic | spin-filtering spin switch chemical adsorption magnetism electronic structure |
| url | https://www.mdpi.com/1420-3049/24/9/1747 |
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