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Electronic structure - a key to understand phenomena in physics and chemistry

Type of study Doctoral
Language of instruction English
Code 9360-0241/02
Abbreviation ES
Course title Electronic structure - a key to understand phenomena in physics and chemistry
Credits 10
Coordinating department CNT - Nanotechnology Centre
Course coordinator Ing. Dominik Legut, Ph.D.

Osnova předmětu

Determination of the temperature-dependent quantities is a current topic in modeling using quantum-mechanical calculations of the electronic structure. Here is a list of examples that uniquely relates physical or chemical properties with electronic structure.

1. Thermal conductivity (electronic and fononic contributions)
2. Analysis of anharmonic effects
3. Diffusion, adsorption and the charge transfer analysis
4. Simulation of a spin-wave (magnons) for low temperatures
5. Mapping of the total energy onto Heisenberg hamiltonian
6. Calculation of the spin-dynamics and the transition temperature
7. Quantum and molecular dynamics, limits, usability and time-frame
8. Models for optical and magneto-optical excitation, core-hole, GW technique, Bethe-Salpeter approach, state-blocking etc.

Povinná literatura

MAHAN, G. D., Many-Particle Physics, Springer, 2000, ISBN 978-1-4757-5714-9 
MARTIN, R. M., Electronic Structure: Basic Theory and Practical Methods, Cambridge University Press, 2004, ISBN-13: 978-0521782852
MARTIN, R. M., Interacting Electrons - Theory and Computational Approaches, Cambridge University Press, 2016, ISBN: 978-0-521-87150-1 
KAXIRAS, Efthimios. Atomic and electronic structure of solids. New York: Cambridge University Press, 2003. ISBN 978-0521523394

Doporučená literatura

CHAIKIN, P. M. and T. C. LUBENSKY. Principles of condensed matter physics. Cambridge [u.a.]: Cambridge Univ. Press, 2007. ISBN 9780521794503 
SINGLETON, J., Band Theory and Electronic Properties of Solids, Oxford Master Series in Physics, 2001, ISBN-10: 0198505914 
BLUNDELL, Stephen. Magnetism in condensed matter. Oxford: Oxford University Press, 2001. Oxford master series in condensed matter physics. ISBN 9780198505914 
GRIMVALL, Göran. Thermophysical properties of materials. Enl. and rev. ed. New York:Elsevier, 1999. ISBN 0444827943 
SEKERKA, R. F., Thermal Physics, Thermodynamics and Statistical Mechanics for Scientists and Engineers, Elsevier, 2015. ISBN 978-0-12-803304-3 


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