期刊
JOURNAL OF CHEMICAL PHYSICS
卷 142, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4904295
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资金
- National Natural Science Foundation of China (NSFC) [61404012, 11247028, 61306122, 11347021, 61106126, 91121021]
- Science and Technology Office Project of Jiangsu Province
- Six Talent Peaks Project of Jiangsu Province
- Jiangsu Qing Lan Projects
Ab initio calculations combining density-functional theory and nonequilibrium Green's function are performed to investigate the effects of either single B atom or single N atom dopant in zigzag-edged graphene nanoribbons (ZGNRs) with the ferromagnetic state on the spin-dependent transport properties and thermospin performances. A spin-up (spin-down) localized state near the Fermi level can be induced by these dopants, resulting in a half-metallic property with 100% negative (positive) spin polarization at the Fermi level due to the destructive quantum interference effects. In addition, the highly spin-polarized electric current in the low bias-voltage regime and single-spin negative differential resistance in the high bias-voltage regime are also observed in these doped ZGNRs. Moreover, the large spin-up (spin-down) Seebeck coefficient and the very weak spin-down (spin-up) Seebeck effect of the B(N)-doped ZGNRs near the Fermi level are simultaneously achieved, indicating that the spin Seebeck effect is comparable to the corresponding charge Seebeck effect. (C) 2015 AIP Publishing LLC.
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