Research Information System
Thesis Type: Postgraduate
Institution Of The Thesis: Gazi Üniversitesi, Fen Bilimleri Enstitüsü, Turkey
Approval Date: 2016
Student: ECE KUTLU
Supervisor: SEFER BORA LİŞESİVDİN
Abstract:In this study, the electronic and optical properties of Si3N4 crystal with and without Al, Ga, In and As impurities are explained with the help of the density fuctional theory (DFT) calculations which use local density approximation (LDA). Hexagonal Si3N4 crystal structure was used in the calculations. Stable positions for the impurity atoms were calculated using the formation energy and binding energies of the related structures and atoms. Basic electronic properties like electronic band structures and density of states (DOS) were determined for pure structures and structures with impurities. In addition to electronic property calculations, optical properties like static dielectric coefficient, photon energy dependent refractive index, extinction coefficient, absorption coefficient and reflection coefficient were calculated with photon energy dependent real and imaginary dielectric functions. The electronic and optical properties of the -Si3N4 crystal were found to change drastically with the introducing impurities to the system, and the possible related electronic and optical applications were discussed.