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4 papers · 2 filters
High pressure structural study of fluoro perovskite CsCdF3 upto 60 GPa: A combined experimental and theoretical study
G. Vaitheeswaran, V. Kanchana, Ravhi. S. Kumar +5
The structural behaviour of CsCdF3 under pressure is investigated by means of theory and experiment. High-pressure powder x-ray diffraction experiments were performed up to a maxim…
Density functional study of elastic and vibrational properties of the Heusler-type alloys FeVAl and FeVGa
V. Kanchana, G. Vaitheeswaran, Yanming Ma +3
The structural and elastic properties as well as phonon-dispersion relations of the Heusler-type alloys FeVAl and FeVGa are computed using density-functional and density-fu…
A new material for hydrogen storage, ScAl0.8Mg0.2
Martin Sahlberg, Premysl Beran, Thomas Kollin Nielsen +6
A novel aluminium rich alloy for hydrogen storage has been discovered, ScAl0.8Mg0.2, which has superior properties regarding hydrogen storage capacity, kinetics and stability towar…
Experimental and theoretical study of oxygen adsorption structures on Ag(111)
Joachim Schnadt, Jan Knudsen, Xiao Liang Hu +7
The oxidized Ag(111) surface has been studied by a combination of experimental and theoretical methods, scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS),…