|
|
|
||
Last update: TAJ101 (03.12.2013)
|
|
||
Last update: TAJ101 (03.12.2013)
Students will be able to: Propose energy band structure diagrams of crystalline substances, determine the method term splitting of atoms and ions in the crystal field Work with a symmetry groups, crystallographical tables and databases of crystal structures as well as with programs for their visualization Optimize the structure parameters and to evaluate the phase composition using the Rietveld analysis Perform calculations based on charge balance, bond valence sums method, the concept of ionic and atomic radii and cohesive energy of crystals Calculate the equilibrium distribution of crystal defects on the basis of thermodynamic models |
|
||
Last update: Sedmidubský David prof. Dr. Ing. (27.08.2013)
R: Kratochvíl, B.; Jenšovský, L. Úvod do krystalochemie. SNTL, 1987, 0460887 R: Kraus I. Struktura a vlastnosti krystalů. Academia, 1993. 802000372X R: J.Chojnacki, Základy chemické a fyzikální krystalochemie, Academia, 1979, 50921857 A: A.F.Wells, Structural inorganic chemistry, Clarendon-Oxford, 1975, 0198553544 A: Parthé E. Modern Perspectives of Inorganic Crystal Chemistry. NATO ASI Series C [382], Kluwer, 1992, 0793219540 |
|
||
Last update: Sedmidubský David prof. Dr. Ing. (27.08.2013)
D.Sedmidubský, K.Knížek, Krystalochemie, VSCHT Praha, http://www.vscht.cz/ach/crystchem/ |
|
||
Last update: Sedmidubský David prof. Dr. Ing. (27.08.2013)
The course is accomplished by responding the questions and working out the problems in a written test - individual project (filling form - y/n and multiple choices + 4-5 more extensive problems), which represents the main part for the overall evaluation. The oral part of the examination is only complementary to support the final evaluation . |
|
||
Last update: Sedmidubský David prof. Dr. Ing. (14.11.2012)
1. Collective electrons in solids, band theory, tight binding approximation. 2. First principles methods for electronic structure calculation of crystalline solids (DFT, LAPW). 3. Localized electrons, electron structure of atoms and ions, crystal filed theory, Jahn-Teller effect 4. Crystal symmetry, crystal classes, space groups, symmetry based classification of structures. 5. Diffraction techniques, Rielveld method for crystal structures refinement. 6. Classification of structures based on various criteria - symmetry, dimensionality, character of chemical bond. 7. Stability criteria of crystal structures, energetics of crystalline solids. 8. Close packing of atoms and ions, concept of ionic radii. 9. Crystal structure types of ionic solids. 10. Crystal structure of metals and intermetallic compounds. 11. Structural principles of silicates, phosphates and other open structures. 12. Structure defects, structures derived on the basis of defect ordering. 13. Principles of solid solutions formation, mixed valence compounds. 14 Thermodynamic models for equilibrium defect distribution. |
|
||
Last update: Sedmidubský David prof. Dr. Ing. (27.08.2013)
Chemistry and physics of solids, General and Inorganic Chemistry I and II Mathematics I and II, Physics I and II |
Teaching methods | ||||
Activity | Credits | Hours | ||
Konzultace s vyučujícími | 0.2 | 6 | ||
Účast na přednáškách | 1 | 28 | ||
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi | 0.8 | 21 | ||
Práce na individuálním projektu | 1 | 28 | ||
Příprava na zkoušku a její absolvování | 0.5 | 14 | ||
Účast na seminářích | 0.5 | 14 | ||
4 / 4 | 111 / 112 |
Coursework assessment | |
Form | Significance |
Regular attendance | 30 |
Defense of an individual project | 40 |
Oral examination | 30 |