1. Ce、Ga、La 掺杂二维 SnO2 电子结构及 光电性质的第一性原理研究.
- Author
-
朱姗姗, 王娟, and 张丽丽
- Abstract
Two - dimensional materials become one of the research hotspots due to the excellent optical, mechanical, thermal and magnetic properties. SnO2 film is a kind of excellent semiconductor material with high electron mobility, good conductivity and transparency. In this paper, the electronic structures, electronic state densities, electrical conductivities and optical properties of pure and doped SnO2 have been studied using the first principles of density functional theory. The calculation results show that a lot of impurity levels are generated near the Fermi level of two - dimensional SnO2 compared with three - dimensional SnO2, which improves the carrier concentration, reduces the band gap, enhances the localization of electrons, increases the effective mass of electrons in the conduction band, and facilitates the occurrence of electronic transitions, thus increasing the conductivity of materials. Two - dimensional SnO2 material has stronger electrical polarization ability than three - dimensional SnO2 material, and has better photon absorption performance and higher photoconductivity in infrared, visible and ultraviolet regions, which is more favorable for the separation and migration of photoelectron - hole pairs, that is, it can effectively improves its photoelectric conversion efficiency. Secondly, doping La can better improve the ability of absorbing photons in infrared, visible and ultraviolet regions, which is more conducive to the efficiency of photoelectric conversion and improve the conductivity. [ABSTRACT FROM AUTHOR]
- Published
- 2023
- Full Text
- View/download PDF