Speaker
Dr
Jelena Zagorac
(INN Vinca, Belgrade, Serbia)
Description
Stable and metastable modifications inside of an ionic Ce-O-N compound with the compositions Ce2ON2 and Ce3O3N have been identified. The Ce2ON2 has been found as a best candidate with Ce4+ charge, even in the extreme conditions, [1,2] while Ce3O3N system is predicted for Ce3+ ions. Structure candidates for both compositions have been obtained after exploring the energy landscape for different pressure values and using empirical potentials.
Primary author
Dr
Jelena Zagorac
(INN Vinca, Belgrade, Serbia)
Co-authors
Christian J. Schoen
(Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany)
Dr
Branko Matovic
(INN Vinca, Belgrade, Serbia)
Dr
Dejan Zagorac
(INN Vinca, Belgrade, Serbia)
