Experimental and theoretical characterization of multinary nitrides

Niklaus, Robin (2019): Experimental and theoretical characterization of multinary nitrides. Dissertation, LMU München: Fakultät für Chemie und Pharmazie

Abstract

Within this thesis, a novel orange-emitting lithium oxonitridosilicate oxide was obtained experimentally and characterized. Density Functional Theory (DFT) calculations were performed in order to further characterize different nitride materials, with respect to their material properties of interest. Those charaterizations comprise structural phase transitions under elevated pressure, as well as the calculation of thermodynamic stabilities and their mechanical and electronic properties.

• Dokumententyp: Dissertationen (Dissertation, LMU München)
• Keywords: Density Functional Theory, Electronic Structure, Nitrides, Luminescence, Phase Transitions
• Themengebiete: 500 Naturwissenschaften und Mathematik ; 500 Naturwissenschaften und Mathematik > 540 Chemie
• Fakultäten: Fakultät für Chemie und Pharmazie
• Sprache der Hochschulschrift: Englisch
• Datum der mündlichen Prüfung: 21. Oktober 2019
• 1. Bericht­erstatter:in: Schnick, Wolfgang