First principles investigation of photoelectric properties of Ga2O3 Doped with group IV elements (Si, Ge, Sn). (March 2023)

• Record Type: Journal Article
• Authors: Yu, Miao; Peng, Bo; Sun, Kai; Yu, Jiangang; Yuan, Lei; Hu, Jichao; Zhang, Yuming; Jia, Renxu
• Is Part Of: Materials today communications. Volume 34(2023)
• Publication Date: 2023-03
• Subjects: β-Ga2O3 -- Dope -- First principle calculation; Materials science -- Periodicals; 620.11
• DOI: 10.1016/j.mtcomm.2022.105127
• Languages: English
• ISSNs: 2352-4928

Abstract

Abstract: As a new-generation wide-bandgap semiconductor material that has attracted much attention in recent years, gallium oxide (Ga 2 O 3 ) usually needs to be doped to control the carriers for improving its optoelectronic properties. Although the n-type doping of Ga 2 O 3 has been realized by using group IV elements as dopants, comparative studies on the effects of different impurity elements on the photoelectrical properties of Ga 2 O 3 are still lacking. Therefore, we conducted a systematic comparative study on the doping of silicon, germanium and tin in Ga 2 O 3 . The lattice distortion, electron local function, formation energy, the density of state, absorption spectrum, mobility, non-radiative capture rate and transmission spectrum of nanodevices and so on are calculated in this manuscript. In brief, among silicon, germanium and tin elements, germanium doping Ga 2 O 3 has the smallest lattice distortion, the largest mobility, the largest conductivity, the smallest capture rate of electrons, and a relatively small absorption edge blue shift. Therefore, germanium doping is more suitable for the application of Ga 2 O 3 in photoelectrical field. Our work also provides certain guidance and theoretical support for subsequent researchers in the selection of Ga 2 O 3 dopants. Graphical abstract: