论文标题

部分可观测时空混沌系统的无模型预测

Unusual electric polarization behavior in elemental quasi-2D allotropes of selenium

论文作者

Liu, Dan, Han, Lin, Wei, Ran, Song, Shixin, Guan, Jie, Dong, Shuai, Tomanek, David

论文摘要

我们研究了硒的准二维(准2D)同素异素的可调节电偏振和电子结构,这些硒是由它们的构成一维(1D)结构形成的,这些结构通过SE的多价性质促进的链间相互作用。我们的EM从头开始计算表明,不同的准2D SE同种异体表现出不同类型的电化极化,包括在Alpha和Delta同种异体中的链方向垂直于链条方向,非共线性Ferrielectric(Ferrielectric(fie)沿Tau-se和Anti-Froloelelelelectric(Afferoelelelectric)极化。偏振的大小和方向可以通过先前未开发的组成链旋转来改变。在这种情况下,平面极化方向可能会变为α-SE和delta-se的平面外,将其方向翻转,甚至消失在tau-se中。同样,通过在这些准2D SE同种异体中旋转围绕其轴的组成链旋转构成链,可以减少带隙并从间接变为直接。

We investigate tunable electric polarization and electronic structure of quasi-two-dimensional (quasi-2D) allotropes of selenium, which are formed from their constituent one-dimensional (1D) structures through an inter-chain interaction facilitated by the multi-valence nature of Se. Our em ab initio calculations reveal that different quasi-2D Se allotropes display different types of electric polarization, including ferroelectric (FE) polarization normal to the chain direction in alpha and delta allotropes, non-collinear ferrielectric (FiE) polarization along the chain axis in tau-Se, and anti-ferroelectric (AFE) polarization in eta-Se. The magnitude and direction of the polarization can be changed by a previously unexplored rotation of the constituent chains. In that case, an in-plane polarization direction may change to out-of-plane in alpha-Se and delta-Se, flip its direction, and even disappear in tau-Se. Also, the band gap may be reduced and changed from indirect to direct by rotating the constituent chains about their axes in these quasi-2D Se allotropes.

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