氧功能化InSe和TlTe二维材料:从可调节带隙半导体过渡到量子自旋霍尔绝缘体
Qing Lu1, Lin Li1, Shilin Luo1
1Key Laboratory of Computational Physics of Sichuan Province, Faculty of Science, Yibin University Yibin 644000 China futiliu@163.com.
RSC advances
|June 23, 2023
概括
氧气功能化化 (InSe) 和化 (TlTe) 2D材料转化为量子自旋厅绝缘体. 这些材料具有强大的拓相,适合于室温拓装置.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 量子化学 是一个量子化学.
背景情况:
- 二维 (2D) 材料具有独特的电子特性.
- 调整带隙和拓相对于先进的电子设备至关重要.
研究的目的:
- 研究氧功能化InSe和TlTe的电子和拓性质.
- 确定这些材料在拓设备应用中的潜力.
主要方法:
- 使用了第一原则计算.
- 分析电子带结构和拓不变量 (Z2).
主要成果:
- 氧功能化诱导从间接到直接的带隙半导体的过渡.
- 在100%的氧气覆盖率下达到0.121 eV (InSe) 和0.169 eV (TlTe) 的最大非微不足道带隙.
- 拓相,以Z2不变量和边缘状态为特征,强度高达75%的氧气覆盖率和应变.
结论:
- 氧化InSe和TlTe是室温量子自旋霍尔绝缘体的有希望的候选者.
- 可调节的带隙和强大的拓相方便实验实现.
- 这些材料非常适合用于设计新型拓设备.
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