论文标题
可逆调整有缺陷TMD的单层的光学特性
Reversible tuning the optical properties of defective TMDs monolayers
论文作者
论文摘要
过渡金属二分法（TMD）在光电和柔性设备中的潜在应用正在进行中。尽管TMDS单层对外部机械场非常健壮，但它们的电子结构对压缩和拉伸应变敏感。此外，固有点缺陷也存在于这两个维（2D）材料的合成样品中，从而导致其电子和光学性质的修饰。与简单过渡金属空位相比，空位复合物的存在导致较大偶极基质元件的吸收。使用第一原理计算，我们仔细检查了各种应变情况对这种缺陷单层的吸收光谱的影响，并表明应变工程可以可逆地调整光学性能。
Potential applications of monolayer of transition metal dichalcogenides (TMDs) in optoelectronic and flexible devices are under heavy investigation. Although TMDs monolayers are highly robust to external mechanical fields, their electronic structure is sensitive to compressive and tensile strain. Besides, intrinsic point defects are present in synthesized samples of these two dimensional (2D) materials which leads to the modification of their electronic and optical properties. Presence of vacancy complexes leads to absorption with larger dipole matrix elements in comparison to the case of simple transition metal vacancies. Using first principles calculations, we scrutinize the effect of various strain situations on the absorption spectra of such defective monolayers and show that strain engineering allows for reversible tuning of the optical properties.
