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n/p-使用IVA组杂质在曲的蜂InAs单层中使用兴奋剂

D M Hoat^1,2, J Guerrero-Sanchez³

¹Institute of Theoretical and Applied Research, Duy Tan University Ha Noi 100000 Vietnam dominhhoat@duytan.edu.vn.

Nanoscale advances

|March 14, 2024

概括

用IVA组元素对二维化 (InAs) 单层进行合,可诱导磁性半导体和半金属性质. 这种功能化为开发新型二维自旋电子材料提供了一个有前途的途径.

科学领域:

材料科学材料科学材料科学
凝聚物质物理学凝聚物质物理学
计算化学计算化学

背景情况:

二维 (2D) 材料具有独特的电子和磁性特性.
甲 (InAs) 单层是先进电子设备的潜在候选者.
控制2D半导体中的磁性对于旋电子学至关重要.

研究的目的:

为了研究n型和p型兴奋剂对蜂InAs单层电子和磁性特征的影响.
探索IVA组元素 (C,Si,Ge,Sn,Pb) 作为剂的潜力.
通过兴奋剂评估创建新型二维自旋电子材料的可行性.

主要方法:

基于密度函数理论 (DFT) 的第一原则计算.
使用 PBE 和 HSE06 函数来计算带隙.
使用初始分子动力学 (AIMD) 模拟来确认热稳定性.

主要成果:

原始的InAs单层是一种半导体;空隙可以诱导磁性.
用Ge,Sn和Pb进行n-doping会诱导磁性半导体行为.
p-doping导致磁性半导体或半金属状态,其磁性可通过doping度调节.
在25%的Sn兴奋剂中观察到的最大磁矩为3.92μB.
杂系统在室温下表现出热稳定性.

结论:

IVA组兴奋剂是一种有效的策略,用于设计2D InAs的电子和磁性特性.
这种功能化为设计下一代2D旋转器件打开了道路.
该研究强调了2D InAs在基于旋转的电子产品中的应用潜力.

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