手性碳化硅纳米管的自旋特性

IF 1.8 3区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

Russian Journal of Inorganic Chemistry Pub Date : 2024-09-15 DOI:10.1134/s0036023624700566

P. N. D’yachkov, P. A. Kulyamin

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引用次数: 0

摘要

摘要利用相对论增强圆柱波方法计算了单壁碳化硅（n1，n2）纳米管（n1 = 7，0 ≤ n2 ≤ 7）的能带结构与自旋和手性的关系。结果发现，纳米管是宽禁带半导体，Eg 在 2.26 至 3.15 eV 之间，价带和导带边缘的自旋轨道分裂在 0.05 至 3.5 meV 之间。右旋和左旋对映体的自旋轨道间隙能量相同，但自旋相反。我们已经确定了最适合选择性自旋传输的手性纳米管，其α电子和β电子的通量可能会很高。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Spin Properties of Chiral SiC Nanotubes

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Spin Properties of Chiral SiC Nanotubes

Abstract

The band structure of single-walled SiC (n₁, n₂) nanotubes (n₁ = 7, 0 ≤ n₂ ≤ 7) as a function of spin and chirality has been calculated by the relativistic augmented cylindrical wave method. It has been found that the nanotubes are wide-band semiconductors with E_g ranging from 2.26 to 3.15 eV, and the spin–orbit splitting of the valence and conduction band edges are in the range 0.05–3.5 meV. The spin–orbit gap energies in righthanded and lefthanded enantiomers coincide, but the spins are opposite. Chiral nanotubes most suitable for selective spin transport with potentially high fluxes of α- and β-electrons in opposite directions have been determined.

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来源期刊

Russian Journal of Inorganic Chemistry 化学-无机化学与核化学

CiteScore

3.10

自引率

38.10%

发文量

237

审稿时长

3 months

期刊介绍： Russian Journal of Inorganic Chemistry is a monthly periodical that covers the following topics of research: the synthesis and properties of inorganic compounds, coordination compounds, physicochemical analysis of inorganic systems, theoretical inorganic chemistry, physical methods of investigation, chemistry of solutions, inorganic materials, and nanomaterials.