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掺杂砷的 α/β-InSe 单层中的奇异磁性与各向异性载流子迁移率的可调性

Exotic magnetism in As-doped α/β-InSe monolayers with tunable anisotropic carrier mobility.

机构信息

School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China.

Institute of Physics, University of Brasilia, Brasília-DF 70919-970, Brazil.

出版信息

Phys Chem Chem Phys. 2019 Sep 21;21(35):19234-19241. doi: 10.1039/c9cp02746g. Epub 2019 Aug 23.

Abstract

The two-dimensional (2D) material family is expanding fast as novel metal chalcogenides are being continually fabricated and intriguingly, plenty of them are ideal candidates for future nanoscale electronic and magnetic devices. Based on first-principles calculations, we investigated the electronic and magnetic properties of α/β-InSe monolayers. We find singularities of density of states appear in the valence band and hole doping (such as a Se atom substituted by a lower valence atom) can induce various ferromagnetic phase transitions in the α/β-InSe monolayers. In particular, replacement by arsenic at the anion site can enhance ferromagnetism and drive α-InSe to be a robust half-metal and β-InSe to be a bipolar magnetic semiconductor. Then, we proposed spin-polarized field-effect transistors based on α-InSe and a bipolar field-effect spin-filter based on β-InSe. Besides, we also discussed the influences of the molecules in air on the device performance such as carrier mobility. We found that the adsorption of either O or HO on α/β-InSe induced changes in hole mobility in different directions. These findings reveal a new road to electronic and magnetic modulations in 2D materials.

摘要

二维(2D)材料家族正在迅速扩展,因为新型金属硫属化物不断被制造出来,而且其中许多都是未来纳米级电子和磁体器件的理想候选材料。基于第一性原理计算,我们研究了α/β-InSe 单层的电子和磁体性质。我们发现,在价带中出现了态密度的奇点,并且空穴掺杂(例如,一个 Se 原子被一个低阶价原子取代)可以在 α/β-InSe 单层中诱导各种铁磁相变。特别地,在阴离子位置用砷取代可以增强铁磁性,并使α-InSe 成为稳定的半金属,β-InSe 成为双极磁半导体。然后,我们基于 α-InSe 提出了自旋极化场效应晶体管,以及基于β-InSe 的双极场效应自旋滤波器。此外,我们还讨论了空气中的分子对器件性能(如载流子迁移率)的影响。我们发现,无论是 O 还是 HO 在 α/β-InSe 上的吸附,都会导致空穴迁移率在不同方向上发生变化。这些发现为二维材料中的电子和磁体调控开辟了新的道路。

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