Experimental and theoretical characterization of multinary nitrides

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.