期刊
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
卷 260, 期 3, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.202200469
关键词
Bethe-Salpeter equation; excitonic effects; MXenes; optical properties; semiconductors
The present study calculates and interprets the optical properties of Sc2CT2 and Hf2CO2 MXene semiconductors using a specific method and equation, revealing the presence of excitonic structures and spectral features in the energy loss function.
The present study uses a full-potential linearized augmented plane wave method and Bethe-Salpeter equation to calculate and interpret the optical properties of Sc2CT2 (T = O, F, and OH) and Hf2CO2 MXene semiconductors, including real and imaginary parts of the dielectric function along with energy loss function. Excitonic structures are observed below calculated bandgaps in these compounds. Sc2CO2 and Sc2CF2 have three excitonic features, whereas Sc2C(OH)(2) and Hf2CO2 show two. As compared to other compounds, Sc2CO2 has a larger exciton binding energy. The energy loss functions display spectral features near the bandgap regions due to the excitonic structures in the imaginary part of the dielectric function.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据