9360-0241/02 – Electronic structure - a key to understand phenomena in physics and chemistry (ES)

Gurantor departmentCNT - Nanotechnology CentreCredits10
Subject guarantorIng. Dominik Legut, Ph.D.Subject version guarantorIng. Dominik Legut, Ph.D.
Study levelpostgraduateRequirementChoice-compulsory type B
YearSemesterwinter + summer
Study languageEnglish
Year of introduction2020/2021Year of cancellation
Intended for the facultiesFMT, FEI, HGF, USPIntended for study typesDoctoral
Instruction secured by
LoginNameTuitorTeacher giving lectures
ARA0013 Sergiu Arapan, Ph.D.
KAD0165 Andrzej Piotr Kadzielawa, Ph.D.
LEG0015 Ing. Dominik Legut, Ph.D.
NIE0061 Pablo Nieves Cordones, PhD.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Examination 20+0
Part-time Examination 20+0

Subject aims expressed by acquired skills and competences

The aim of the subject is to analyze from the fermionic and bosonic contributions, i.e. a bridge between the electronic sructure and the final material properties. Here the time scale and finite temperatures is involved as more complex procedures like atomic vibrations, magnetic excitations, superconductivity states, the effect of the localized or itinerant behavior of the electrons need to be determined and its effect on the required material property or novel phenomena in solid sdtate physics.

Teaching methods

Lectures
Individual consultations

Summary

The aim of the subject is to analyze from the fermionic and bosonic contributions, i.e. a bridge between the electronic sructure and the final material properties. Here the time scale and finite temperatures is involved as more complex procedures like atomic vibrations, magnetic excitations, superconductivity states, the effect of the localized or itinerant behavior of the electrons need to be determined and its effect on the required material property or novel phenomena in solid sdtate physics.

Compulsory literature:

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

Recommended literature:

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

Way of continuous check of knowledge in the course of semester

Exam and successful finishing given project.

E-learning

Other requirements

The successful finish of the given project

Prerequisities

Subject has no prerequisities.

Co-requisities

Subject has no co-requisities.

Subject syllabus:

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.

Conditions for subject completion

Full-time form (validity from: 2020/2021 Winter semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Examination Examination  
Mandatory attendence parzicipation:

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.ZaměřeníFormStudy language Tut. centreYearWSType of duty
2021/2022 (P0719D270003) Nanotechnology P English Ostrava Choice-compulsory type B study plan
2021/2022 (P0719D270003) Nanotechnology K English Ostrava Choice-compulsory type B study plan
2020/2021 (P0719D270003) Nanotechnology P English Ostrava Choice-compulsory type B study plan
2020/2021 (P0719D270003) Nanotechnology K English Ostrava Choice-compulsory type B study plan

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner