一个Janus PtSSe-SnSSe范德瓦尔斯异构结构的应变调节的电子和光学特性
1School of Mathematics and Natural Sciences, Chanakya University, Bengaluru 562110, India.
概括
应变工程显著调整了Janus PtSSe-SnSSe范德瓦尔斯异构结构的电子和光学特性. 这种可调性突显了它们对先进纳米电子和光电子设备的潜力.
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
- 纳米技术纳米技术
背景情况:
- 詹努斯·范德瓦尔斯 (vdW) 的异构结构具有内在的不对称性和内置的电场.
- 这些特性使得它们对纳米电子和光电子应用具有前景.
研究的目的:
- 研究应变对Janus PtSSe-SnSSe vdW异构结构的电子和光学特征的影响.
- 探索双轴应变如何影响带结构,电荷分布和光学吸收.
主要方法:
- 使用了第一原则密度函数理论 (DFT) 计算.
- 分析了电子带结构和光学吸收光谱.
- 研究了拉力和压力双轴应变的影响.
主要成果:
- 应变显著改变了带间隙,拉力应变减少了它,压力应变产生了不同的效果.
- 光学吸收强度增强,特别是在可见光谱中,在应变下.
- 应变诱导电荷密度和静电电位的变化,为层间合提供了洞察力.
结论:
- 斯PtSSe-SnSSe异构结构在应力下表现出高度调节的电子和光学特性.
- 应变工程是优化这些异构结构用于下一代设备的可行策略.
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