多铁MnGaSSe单层2的半金属和金属状态之间的可能转化
Zhiwen He1, Shu Wang1, Xue Rui1
1College of Physics Science and Technology, Yangzhou University, Yangzhou 225002, China. yuxk@yzu.edu.cn.
Physical chemistry chemical physics : PCCP
|August 14, 2025
概括
这项研究探讨了MnGaSSe2单层,揭示了铁磁性质对于自旋器件至关重要. O-阶段表现出强大的半金属行为,而T-阶段显示了应变诱导的磁性过渡,提供了设计见解.
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
- 固态化学 固态化学
背景情况:
- 多铁 (MF) 材料具有合的磁性和电子性质,对于先进的自旋电子设备至关重要.
- 开发新的内在MF材料是低功耗电子应用的关键.
研究的目的:
- 研究MnGaSSe2单层的结构,电子和磁性特性.
- 探索MnGaSSe2在旋转电子应用中的潜力.
主要方法:
- 使用第一原理计算来建模MnGaSSe2单层.
- 分析了结构阶段 (O阶段和T阶段) 和它们的磁性排序.
- 研究了双轴应变对磁性和电子性能的影响.
主要成果:
- O相MnGaSSe2单层显示铁磁 (FM) 半金属行为,其基里温度 (TC) 为159K.
- T相MnGaSSe2单层表现出一个FM金属基态,TC为75K.
- O相FM半金属特性具有抗应变强度;T相从FM金属转变为抗铁磁 (AFM) 金属,压力应变为4%.
结论:
- MnGaSSe2单层为内在的多铁材料提供了有前途的候选材料.
- 通过Se-Mn-S链的超级交换相互作用驱动强大的内层FM合.
- 应变工程提供了一个可行的策略,用于调整磁性和电子性质,用于自旋电子应用.
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