title: Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons.
abstract: 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.
authors.affiliation: College of Physics and Engineering, Changshu Institute of Technology and Jiangsu Laboratory of Advanced Functional Materials, Changshu 215500, China.
authors.forename: Xi-Feng
authors.initials: XF
authors.lastname: Yang
authors.affiliation: College of Physics and Engineering, Changshu Institute of Technology and Jiangsu Laboratory of Advanced Functional Materials, Changshu 215500, China.
authors.forename: Wen-Qian
authors.initials: WQ
authors.lastname: Zhou
authors.affiliation: College of Physics and Engineering, Changshu Institute of Technology and Jiangsu Laboratory of Advanced Functional Materials, Changshu 215500, China.
authors.forename: Xue-Kun
authors.initials: XK
authors.lastname: Hong
authors.affiliation: College of Physics and Engineering, Changshu Institute of Technology and Jiangsu Laboratory of Advanced Functional Materials, Changshu 215500, China.
authors.forename: Yu-Shen
authors.initials: YS
authors.lastname: Liu
authors.affiliation: Department of Physics, Soochow University, Suzhou 215006, China.
authors.forename: Xue-Feng
authors.initials: XF
authors.lastname: Wang
authors.affiliation: College of Physics and Engineering, Changshu Institute of Technology and Jiangsu Laboratory of Advanced Functional Materials, Changshu 215500, China.
authors.forename: Jin-Fu
authors.initials: JF
authors.lastname: Feng