Speaker
Dejan Zagorac
Description
Novel predicted and previously synthesized BaS phases have been calculated and subjected to extreme pressures. The structure-property relationship and in particular metalization of BaS has been investigated. Here, we present structure prediction, high-pressure effect, and properties investigation of superhard B6O. Finally, we show one unknown Cr2SiN4 compound calculated using a combination of the theoretical methods, and behavior under high pressure has been investigated.
Primary author
Dejan Zagorac
Co-authors
Dr
Jelena Zagorac
(Institute of Nuclear Sciences “Vinča”, Materials Science Laboratory, University of Belgrade, Belgrade, Serbia)
Ms
Tamara Skundric
(Institute of Nuclear Sciences “Vinča”, Materials Science Laboratory, University of Belgrade, Belgrade, Serbia)
Mr
Milan Pejic
(Institute of Nuclear Sciences “Vinča”, Materials Science Laboratory, University of Belgrade, Belgrade, Serbia)
Mrs
Dusica Jovanovic
(Institute of Nuclear Sciences “Vinča”, Materials Science Laboratory, University of Belgrade, Belgrade, Serbia)
Prof.
Klaus Doll
(Institute for Theoretical Chemistry, University of Stuttgart, Germany)
Prof.
J. Christian Schoen
(Max Planck Institute for Solid State Research, Nanoscale Science Department, Stuttgart, Germany)
Prof.
Branko Matovic
(Institute of Nuclear Sciences “Vinča”, Materials Science Laboratory, University of Belgrade, Belgrade, Serbia)
