Spin transport property of Cr2C based nanoscale devices: A first principle study
Edge states and interfacial design are important influencing factors for spin transport property modulation of nanoscale devices. Electronic structure and spin charge transmission path of both armchair/zigzag Cr2C nanoribbon and single-porphyrin molecular junctions with Cr2C nanoribbon electrodes ar...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-02-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379723000219 |
| _version_ | 1797924692752859136 |
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| author | Bei Zhang Yaoxing Sun Shidong Zhang Aolin Li Jiming Dong Jing Wang Haiming Duan Fangping Ouyang |
| author_facet | Bei Zhang Yaoxing Sun Shidong Zhang Aolin Li Jiming Dong Jing Wang Haiming Duan Fangping Ouyang |
| author_sort | Bei Zhang |
| collection | DOAJ |
| description | Edge states and interfacial design are important influencing factors for spin transport property modulation of nanoscale devices. Electronic structure and spin charge transmission path of both armchair/zigzag Cr2C nanoribbon and single-porphyrin molecular junctions with Cr2C nanoribbon electrodes are studied based on spin polarized density functional theory and non-equilibrium Green's function method. The results show that both zigzag and armchair oriented Cr2C nanoribbons have intrinsic magnetic half-metallic behavior. Volt-ampere characteristics of zigzag Cr2C nanodevices are linear, and that of armchair Cr2C nanodevice shows obvious saturation effect and negative differential resistance effect (NDR). These two cases maintain both strong spin polarization current intensity and 100% spin filtering efficiency (SFE). In addition, the intercalation of porphyrin molecule significantly reduces electron accumulation near the Fermi level in case of armchair Cr2C nanodevice which retains 100% spin polarization behavior. This work expands a potential application of intrinsic magnetic two-dimensional materials in field of molecular spintronic devices. |
| first_indexed | 2024-04-10T15:06:04Z |
| format | Article |
| id | doaj.art-19528ba5d35e440a9a23e86e38fbb921 |
| institution | Directory Open Access Journal |
| issn | 2211-3797 |
| language | English |
| last_indexed | 2024-04-10T15:06:04Z |
| publishDate | 2023-02-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Physics |
| spelling | doaj.art-19528ba5d35e440a9a23e86e38fbb9212023-02-15T04:27:54ZengElsevierResults in Physics2211-37972023-02-0145106228Spin transport property of Cr2C based nanoscale devices: A first principle studyBei Zhang0Yaoxing Sun1Shidong Zhang2Aolin Li3Jiming Dong4Jing Wang5Haiming Duan6Fangping Ouyang7Xinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, China; State Key Laboratory of Powder Metallurgy, School of Physics and Electronics,Central South University, Changsha 410083, China; State Key Laboratory of Chemistry and Utilization of Carbon-based Energy and Resources, Xinjiang University, Urumqi, Xinjiang 830046, China; Corresponding authors at: Xinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, China.Xinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, ChinaState Key Laboratory of Powder Metallurgy, School of Physics and Electronics,Central South University, Changsha 410083, ChinaXinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, ChinaXinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, ChinaXinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, ChinaXinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, China; Corresponding authors at: Xinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, China.Xinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, China; State Key Laboratory of Powder Metallurgy, School of Physics and Electronics,Central South University, Changsha 410083, China; State Key Laboratory of Chemistry and Utilization of Carbon-based Energy and Resources, Xinjiang University, Urumqi, Xinjiang 830046, China; Corresponding authors at: Xinjiang Key Laboratory of Solid State Physics and Device, School of Physical Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, China.Edge states and interfacial design are important influencing factors for spin transport property modulation of nanoscale devices. Electronic structure and spin charge transmission path of both armchair/zigzag Cr2C nanoribbon and single-porphyrin molecular junctions with Cr2C nanoribbon electrodes are studied based on spin polarized density functional theory and non-equilibrium Green's function method. The results show that both zigzag and armchair oriented Cr2C nanoribbons have intrinsic magnetic half-metallic behavior. Volt-ampere characteristics of zigzag Cr2C nanodevices are linear, and that of armchair Cr2C nanodevice shows obvious saturation effect and negative differential resistance effect (NDR). These two cases maintain both strong spin polarization current intensity and 100% spin filtering efficiency (SFE). In addition, the intercalation of porphyrin molecule significantly reduces electron accumulation near the Fermi level in case of armchair Cr2C nanodevice which retains 100% spin polarization behavior. This work expands a potential application of intrinsic magnetic two-dimensional materials in field of molecular spintronic devices.http://www.sciencedirect.com/science/article/pii/S2211379723000219Cr2C-porphyrin-Cr2C nanoscale junctionSpintronic devicesElectronic structureCharge transport propertiesFirst-principle calculation |
| spellingShingle | Bei Zhang Yaoxing Sun Shidong Zhang Aolin Li Jiming Dong Jing Wang Haiming Duan Fangping Ouyang Spin transport property of Cr2C based nanoscale devices: A first principle study Results in Physics Cr2C-porphyrin-Cr2C nanoscale junction Spintronic devices Electronic structure Charge transport properties First-principle calculation |
| title | Spin transport property of Cr2C based nanoscale devices: A first principle study |
| title_full | Spin transport property of Cr2C based nanoscale devices: A first principle study |
| title_fullStr | Spin transport property of Cr2C based nanoscale devices: A first principle study |
| title_full_unstemmed | Spin transport property of Cr2C based nanoscale devices: A first principle study |
| title_short | Spin transport property of Cr2C based nanoscale devices: A first principle study |
| title_sort | spin transport property of cr2c based nanoscale devices a first principle study |
| topic | Cr2C-porphyrin-Cr2C nanoscale junction Spintronic devices Electronic structure Charge transport properties First-principle calculation |
| url | http://www.sciencedirect.com/science/article/pii/S2211379723000219 |
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