9360-0137/02 – Electronic structure modelling of solids (MES)
| Gurantor department | CNT - Nanotechnology Centre | Credits | 3 |
| Subject guarantor | Ing. Dominik Legut, Ph.D. | Subject version guarantor | Ing. Dominik Legut, Ph.D. |
| Study level | undergraduate or graduate | Requirement | Choice-compulsory |
| Year | | Semester | summer |
| | Study language | English |
| Year of introduction | 2013/2014 | Year of cancellation | 2020/2021 |
| Intended for the faculties | FMT, FEI, USP, HGF | Intended for study types | Follow-up Master |
Subject aims expressed by acquired skills and competences
Student is introduced into the field of the state of the art first principles methods to calculate electronic structure of solids, employing number of approximations as well as the to learn about the limits of the methodology. Following theoretical treatment of many physical quantities based on simple models, the practic training to obtain the same quantities from first principles calculations will be utilized.
Teaching methods
Lectures
Individual consultations
Tutorials
Project work
Summary
Student is introduced into the field of the state of the art first principles methods to calculate electronic structure of solids, employing number of approximations as well as the to learn about the limits of the methodology. Following theoretical treatment of many physical quantities based on simple models, the practic training to obtain the same quantities from first principles calculations will be utilized.
Compulsory literature:
Charles Kittels, Introduction to Solid State Physics, Wiley (1985).
N. Ashcroft, N. Mermin, Solid State Physics, Cengage Learning (1976).
R. M. Martin, Electronic Structure – Basic Theory and Practical Methods, Cambridge University Press (2004).
Recommended literature:
P. M. Chaikin, T. C. Lubensky, Principles of Condensed Matter Physics, Cambridge Press (2000).
J. Singleton, Band Theory and Electronic Properties of Solids, Oxford Master Series in Physics (2001).
S. Blundell, Magnetism in Condensed Matter, Oxford Master Series in Physics (2001).
J. Stohr, H. C. Siegmann, Magnetism: from Fundamentals to Nanoscale Dynamics, Springer (2006).
M. Fox, Quantum Optics, Oxford Master Series in Physics (2006).
Way of continuous check of knowledge in the course of semester
E-learning
Other requirements
Knowledge of unix environment, fortran or matlab-like programming is highly advantegous.
Prerequisities
Subject has no prerequisities.
Co-requisities
Subject has no co-requisities.
Subject syllabus:
THEORY:
1) Introduction to electronic structure of solids
2) Density functional theory - foundation of first-principles (ab initio) calculations
3) State-of-the-art methodology, approximations and limits of ab initio
4) Phase stability, thermal properties
5) Magnetism and electronic structure
6) Optical transitions
PRACTICAL session:
1) Calculations of mechanical properties
2) Lattice vibrations (phonons) and thermodynamical properties
3) Determination of magnetic ordering, effect of spin-orbit interaction
4) Calculations of optical and magneto-optical properties
Conditions for subject completion
Conditions for completion are defined only for particular subject version and form of study
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
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