掺杂铝或磷之字形硅纳米带的自旋热电效应

Jiali Song, Xue Zhang, Xuefeng Wang, Jinfu Feng, Yushen Liu
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引用次数: 0

摘要

基于密度泛函理论(DFT)结合非平衡格林函数(NGF),研究了铁磁状态下之字形边硅纳米带(ZGNRs)不同边缘位置单铝(Al)或单磷(P)原子取代对其自旋相关输运性质和自旋热电效应的影响。研究发现,掺杂的ZSiNRs在费米能级上的自旋极化可以达到100%或-100%。同时,自旋上塞贝克效应(-100%情况下)和自旋下塞贝克效应(100%情况下)也得到了增强。在特定掺杂位置和电子能量下,自旋塞贝克系数远大于相应的电荷塞贝克系数。因此,研究表明,Al或P掺杂的ZSiNRs可以用来制备理想的热自旋器件。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Spin thermoelectric effects on aluminum or phosphorus doped zigzag silicene nanoribbons
Based on the density-functional theory (DFT) combined with nonequilibrium Green’s function (NGF), this paper investigates the effects of either single aluminum (Al) or single phosphorus (P) atom substitutions at different edge positions of zigzag-edged silicene nanoribbons (ZGNRs) in the ferromagnetic state on the spin-dependent transport properties and spin thermoelectric effects. It has been found that the spin polarization at the Fermi level can reach 100% or –100% in the doped ZSiNRs. Meanwhile, the spin-up Seebeck effect (for -100% case) and spin-down Seebeck effect (for 100% case) are also enhanced. Moreover, the spin Seebeck coefficient is much larger than the corresponding charge Seebeck coefficient at a special doping position and electron energy. Therefore, the study shows that the Al or P doped ZSiNRs can be used to prepare the ideal thermospin devices.
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