9360-0241/01 – Electronic structure - a key to understand phenomena in physics and chemistry (ES)
| Gurantor department | CNT - Nanotechnology Centre | Credits | 10 |
| Subject guarantor | Ing. Dominik Legut, Ph.D. | Subject version guarantor | Ing. Dominik Legut, Ph.D. |
| Study level | postgraduate | Requirement | Choice-compulsory type B |
| Year | | Semester | winter + summer |
| | Study language | Czech |
| Year of introduction | 2020/2021 | Year of cancellation | |
| Intended for the faculties | FEI, HGF, USP, FMT | Intended for study types | Doctoral |
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:
Recommended literature:
Way of continuous check of knowledge in the course of semester
Exam and successful finishing given project.
E-learning
Other requirements
Exam and successful finishing 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
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
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