Author/Authors :
Krisztina K?das، نويسنده , , Matilda Andersson، نويسنده , , Erik Holmstr?m، نويسنده , , Heiko Wende، نويسنده , , Olof Karis، نويسنده , , Sigita Urbonaite، نويسنده , , Sergei M. Butorin، نويسنده , , Sergey Nikitenko، نويسنده , , Kristina O. Kvashnina، نويسنده , , Ulf Jansson، نويسنده , , Olle Eriksson، نويسنده ,
Abstract :
By means of theoretical modeling and experimental synthesis and characterization, we investigate the structural properties of amorphous Zr–Si–C. Two chemical compositions are selected: image and image. Amorphous structures are generated in the theoretical part of our work by the stochastic quenching (SQ) method, and detailed comparison is made regarding the structure and density of the experimentally synthesized films. These films are analyzed experimentally using X-ray absorption spectroscopy, transmission electron microscopy and X-ray diffraction. Our results demonstrate a remarkable agreement between theory and experiment concerning bond distances and atomic coordination of this complex amorphous metal carbide. The demonstrated power of the SQ method opens up avenues for theoretical predictions of amorphous materials in general.
Keywords :
Amorphous materials , Ab initio calculations , atomic structure , Metal carbide glasses , X-ray absorption spectroscopy
