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Last update: Hladíková Jana (19.11.2018)
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Last update: Hladíková Jana (19.11.2018)
Students will be able to: Explore the Inorganic crystal structure database Perform structure refinements of inorganig substances using the Rietveld method Perform electronic structure calculation of inorganic substances Calculate cohesive energies, energies of crystal defects and Hellmann-Feynman forces from first principles Construct crystallochemical models and calculate the equilibria of crystal defects distribution
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Last update: Hladíková Jana (19.11.2018)
R: A.F. Wells, Structural Inorganic Chemistry, 4th ed., CLARENDON PRESS -Oxford University Press 1975, ISBN: 0-19-855354-4 (R) R: F.S. Galasso, Structure and Properties of Inorganic Solids, Pergamon Press 1970, ISBN: 08-006873-1 (R) A: C.R.A. Catlow (Ed.), Computer Modelling in Inorganic Crystallography, Academic Press 1997, ISBN:0-12-164135-X (A) A: users guides to Wien2k, Phonon, VASP, Fullprof and FactSage programs (R) |
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Last update: Hladíková Jana (19.11.2018)
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Last update: Hladíková Jana (19.11.2018)
General and Inorganic Chemistry II Crystal chemistry for master students Solid State Chemistry and Physics |
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Last update: Hladíková Jana (19.11.2018)
A successful solution of a project related to the topic of thesis |