Optical and electronic properties of orthorhombic and trigonal AXO(3) (A=Cd, Zn; X=Sn, Ge): First principle calculation

WOS: 000377049700011
Electronic structure and optical properties of the CdXO3 and ZnXO3 (XGe, Sn) compounds have been investigated based on density functional theory. According to the predictive results, reveal that the CdXO3 and ZnXO3 would be candidates for a high performance lead free optical crystal, which will avoid the environmental toxicity problem of the lead-based materials.
project DPT-HAMIT; project DPT-FOTON; project NATO-SET [193]; project TUBITAK [113E331, 109A015, 109E301]; Turkish Academy of Sciences
This work is supported by the projects DPT-HAMIT, DPT-FOTON, NATO-SET-193 and TUBITAK under Project Nos., 113E331, 109A015, 109E301. One of the authors (Ekmel Ozbay) also acknowledges partial support from the Turkish Academy of Sciences. The numerical calculations reported in this paper were fully performed at Aksaray University, Science and Technology Application and Research Center.