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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:
; ; ; ;  [1];  [2]
  1. College of Physics and Engineering, Changshu Institute of Technology and Jiangsu Laboratory of Advanced Functional Materials, Changshu 215500 (China)
  2. Department of Physics, Soochow University, Suzhou 215006 (China)
Publication Date:
OSTI Identifier:
22415847
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 2; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRIC CURRENTS; ELECTRIC POTENTIAL; FERMI LEVEL; GRAPHENE; GREEN FUNCTION; INTERFERENCE; NANOSTRUCTURES; SEEBECK EFFECT; SPIN; SPIN ORIENTATION

Citation Formats

Yang, Xi-Feng, Zhou, Wen-Qian, Hong, Xue-Kun, Liu, Yu-Shen, E-mail: ysliu@cslg.edu.cn, Feng, Jin-Fu, E-mail: fengjinfu@cslg.edu.cn, and Wang, Xue-Feng, E-mail: xf-wang1969@yahoo.com. Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons. United States: N. p., 2015. Web. doi:10.1063/1.4904295.
Yang, Xi-Feng, Zhou, Wen-Qian, Hong, Xue-Kun, Liu, Yu-Shen, E-mail: ysliu@cslg.edu.cn, Feng, Jin-Fu, E-mail: fengjinfu@cslg.edu.cn, & Wang, Xue-Feng, E-mail: xf-wang1969@yahoo.com. Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons. United States. doi:10.1063/1.4904295.
Yang, Xi-Feng, Zhou, Wen-Qian, Hong, Xue-Kun, Liu, Yu-Shen, E-mail: ysliu@cslg.edu.cn, Feng, Jin-Fu, E-mail: fengjinfu@cslg.edu.cn, and Wang, Xue-Feng, E-mail: xf-wang1969@yahoo.com. Wed . "Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons". United States. doi:10.1063/1.4904295.
@article{osti_22415847,
title = {Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbons},
author = {Yang, Xi-Feng and Zhou, Wen-Qian and Hong, Xue-Kun and Liu, Yu-Shen, E-mail: ysliu@cslg.edu.cn and Feng, Jin-Fu, E-mail: fengjinfu@cslg.edu.cn and Wang, Xue-Feng, E-mail: xf-wang1969@yahoo.com},
abstractNote = {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.},
doi = {10.1063/1.4904295},
journal = {Journal of Chemical Physics},
number = 2,
volume = 142,
place = {United States},
year = {Wed Jan 14 00:00:00 EST 2015},
month = {Wed Jan 14 00:00:00 EST 2015}
}