9360-0137/01 – Electronic structure modelling of solids (MES)

Gurantor departmentCNT - Nanotechnology CentreCredits3
Subject guarantorIng. Dominik Legut, Ph.D.Subject version guarantorIng. Dominik Legut, Ph.D.
Study levelundergraduate or graduateRequirementChoice-compulsory
Year1Semestersummer
Study languageCzech
Year of introduction2013/2014Year of cancellation
Intended for the facultiesUSP, FMT, FEI, HGFIntended for study typesFollow-up Master
Instruction secured by
LoginNameTuitorTeacher giving lectures
LEG0015 Ing. Dominik Legut, Ph.D.
SYK0048 Mgr. Rudolf Sýkora, Ph.D.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Credit and Examination 2+2

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

Další požadavky na studenta

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

Full-time form (validity from: 2015/2016 Winter semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Credit and Examination Credit and Examination 100 (100) 51
        Credit Credit 30  30
        Examination Examination 70  60
Mandatory attendence parzicipation: completation of the project on the basis of the first-principles calculations

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.FormStudy language Tut. centreYearWSType of duty
2019/2020 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2018/2019 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2017/2018 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2016/2017 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2015/2016 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2014/2015 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2014/2015 (N3942) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan
2013/2014 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Choice-compulsory study plan

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner