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Basic principles and modern concepts of the description of inorganic crystalline solids are introduced. The course is devided into four study blocks: 1.Chemical bonding in crystals, 2. Symmetry and structure of crystalline solids, 3. Crystal energetics and crystal defects equilibrium, 4. Crystal types and structural principles of solid inorganic substances (mixed oxides, chalcogenides, intermetallics, silicates). Poslední úprava: Sedmidubský David (01.03.2018)
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A successful completion of the subject is based on correct solution of the written part in a form of individual project (multiple choice test + 4-5 more complex problems such as crystal structure refinement, solution of crystallochemical equilibrium based on point defect model, etc.), This part is followed by oral exmination.. Poslední úprava: Sedmidubský David (28.02.2018)
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Poslední úprava: Sedmidubský David (28.02.2018)
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Lectures, seminars, homework Poslední úprava: Sedmidubský David (28.02.2018)
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1. Electrons in solids, chemical bonding, band theory. 2. Metods of ab-initio calculations. LDA, LAPW. 3. Localized electrons, electron structure of atoms and ions. 4. Electrostatic and quantum theory of crystals, Jahn-Teller effect. 5. Crystal symmetry, space groups. 6. X-ray diffraction, Rielveld refinement. 7. Classification of structures - symmetry, dimensionality, bonding type. 8. Stability criteria of crystal structure, energy of crystalline solids. 9. Close packed atomic and ionic arrangements, concept of ionic radius. 10. Crystal types of ionic compounds. 11. Crystal structure of metals and intermetallics. 12. Defects of crystal structure, crystallochemical equilibrium. 13. Solid solutions, mixed valence compounds. 14. Structural types of silicates, phosphates and other compounds. Poslední úprava: Sedmidubský David (01.03.2018)
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D.Sedmidubský, K.Knížek, Crystal chemistry, UCT Prague, http://e-learning.vscht.cz/ K.Knížek, Crystal Chemistry, http://lom.fzu.cz/main/lom/krystalochemie/index.html Poslední úprava: Sedmidubský David (28.02.2018)
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Students will be able to:
Sketch the energy diagrams of band structure for crystalline solids, determine the schemes of energy level splitting for orbital and atom and ion terms in crystal field
Work effectively with symmetry groups, crystal structure tables and databases as well as with programs fro structure visualization
Refine the crystal structure and determine quantitative phase composition using Rietveld analysis
Perform calculations based on charge balance, bond valence sum method and ionic and atomic radii concep as well as calculations cohesive energie of crystals
Calculate the equilibrium of crystal defects based on crystallochemical models Poslední úprava: Sedmidubský David (28.02.2018)
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Zátěž studenta | ||||
Činnost | Kredity | Hodiny | ||
Konzultace s vyučujícími | 0.2 | 6 | ||
Účast na přednáškách | 1 | 28 | ||
Práce na individuálním projektu | 0.7 | 20 | ||
Příprava na zkoušku a její absolvování | 0.6 | 16 | ||
Účast na seminářích | 0.5 | 14 | ||
3 / 3 | 84 / 84 |