Dual-Polarization Valley Features in a Sc-Doped FeCl2 Monolayer under Strain

IF 3.3 3区 化学 Q2 CHEMISTRY, PHYSICAL
Si-Tong Bao, Su-Tao Sun, Li-Li Zhang, Fu-Mei Lang, Yi-Chi Li, Jian Zhou, Hai-Ming Lu
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引用次数: 0

Abstract

Two-dimensional valley materials have gained extensive interest for their potential applications in valleytronics, while large spontaneous valley polarization usually occurs in either the conduction or valence bands of most previously reported materials. Herein, through the first-principles calculations, we propose that rare dual-polarization valley features can be achieved in both the conduction and valence bands of an FeCl2 monolayer by transition metal doping. Electrons and holes with opposite spins would occupy these valley-polarized energy levels, and thus, a spin valley Hall device with high efficiency and low energy consumption can be designed. Especially for the Sc-doped case, there are no impurity states in the band gap, beneficial for its practical applications. Moreover, the valley polarization in the Sc-doped FeCl2 monolayer can be further engineered by biaxial strain. Our finding can benefit the modulation of the valley physics.

Abstract Image

应变下sc掺杂FeCl2单层的双极化谷特征
二维谷材料因其在谷电子学中的潜在应用而引起了广泛的兴趣,而在大多数先前报道的材料中,大的自发谷极化通常发生在导带或价带。本文通过第一性原理计算,提出通过过渡金属掺杂可以在FeCl2单层的导电带和价带中实现罕见的双极化谷特征。具有相反自旋的电子和空穴将占据这些谷极化能级,从而可以设计出高效率、低能耗的自旋谷霍尔器件。特别是对于sc掺杂的情况,带隙中没有杂质态,有利于其实际应用。此外,可以通过双轴应变进一步设计sc掺杂FeCl2单层的谷极化。我们的发现有助于调制谷物理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
The Journal of Physical Chemistry C
The Journal of Physical Chemistry C 化学-材料科学:综合
CiteScore
6.50
自引率
8.10%
发文量
2047
审稿时长
1.8 months
期刊介绍: The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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