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Experimental and theoretical characterization of multinary nitrides
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.
Density Functional Theory, Electronic Structure, Nitrides, Luminescence, Phase Transitions
Niklaus, Robin
2019
English
Universitätsbibliothek der Ludwig-Maximilians-Universität München
Niklaus, Robin (2019): Experimental and theoretical characterization of multinary nitrides. Dissertation, LMU München: Faculty of Chemistry and Pharmacy
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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.