Chemical Aspects of Solids

Course guarantor:

Karel Knížek

Lecturer:

Karel Knížek

Tutor:

Karel Knížek

Supervisor:

Department of Solid State Engineering

Synopsis:

The purpose of this lecture is an interpretation of the chemical bonding in solids. The principle of band structure calculation is demonstrated with the help of Tight-binding method. The relations between crystal and electronic structure are manifested for selected materials.

Requirements:

Syllabus of lectures:

1.Eigenvalues and eigenvectors, direct and reciprocal space.

2.Electronic structure of atoms, LS and jj coupling.

3.Molecular orbitals, symmetry, degeneration.

4.Octahedral complexes, ligand field theory, Tanabe-Sugano diagrams.

5.Walsh diagrams, Jahn-Teller distortion, Peierls distortion.

6.Collective electrons in solids, Bloch functions, band theory, density of states.

7.Hückel's method for cyclic systems.

8.Tight-binding approximation, Hubbard model, Mott's insulator, electron correlation.

9.Electronic structure of selected solids.

10.Electronic structure and magnetic properties, spin-orbit coupling.

11.Electronic structure and transport properties (Seebeck, resistivity).

Syllabus of tutorials:

Study Objective:

Knowledge:

Chemical bonding and band structure dedeced from the orbital interaction with in the tight-binding approximation.

Skills:

Basic relations between crystal structure and band structure in solids.

Study materials:

1.T.A. Albright, J.K. Burdett, M.-H. Whangbo: Orbital Interactions In Chemistry, Wiley, 2013.

2.J.K. Burdett, Chemical bonding in solids, Oxford University Press, 1995.

3.J.K. Burdett, From Bonds to Bands and Molecules to Solids, Progress in Solid State Chemistry 15 (1984) 173-255.

4.E. Canadell, M.-H. Whangbo, Conceptual aspects of structure-property correlations and electronic instabilities, with applications to low-dimensional transition-metal oxides, Chem. Rev. 91 (1991) 965-1034.

Note:

Time-table for winter semester 2024/2025:

	06:00–08:0008:00–10:0010:00–12:0012:00–14:0014:00–16:0016:00–18:0018:00–20:0020:00–22:0022:00–24:00
Mon
Tue	roomTR:386 Knížek K. 16:00–17:50 (lecture parallel1) Trojanova 13
Wed
Thu
Fri

Time-table for summer semester 2024/2025:

Time-table is not available yet

The course is a part of the following study plans:

• Inženýrství pevných látek (elective course)
• Solid State Engineering (elective course)