9360-0217/01 – Electronic structure (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 |
| Year | | Semester | winter + summer |
| | Study language | Czech |
| Year of introduction | 2012/2013 | Year of cancellation | |
| Intended for the faculties | USP | Intended for study types | Doctoral |
Subject aims expressed by acquired skills and competences
The subject deals with electronic structure (ES) of solids. Many physical and chemical quantities might be predicted based on known ES based on density functional theory using first-principles methods (ab-initio calculations).
Teaching methods
Lectures
Individual consultations
Project work
Other activities
Summary
The subject deals with electronic structure of solid crystalline matter. The subject starts with relation between crystal symmetry, electronic structure and its physical properties. Then, general principles of ab-initio calculations are presented, together with discussion of related approximations, Knowing the electronic structure, many physical properties can be expressed, which is demonstrated on example of elastic constants, lattice vibrations, electrical and thermal conductivity as well as on example of optical properties of solids. Later, the spin-polarization in solids (magnetic ordering, e.g. ferro-, antiferro-, ferri-, spin-spiral etc.) is discussed. Finally, the importance of spin-orbit interaction and its effect on many physical properties is demonstrated. Practical example, e.g. calculation of a Si thermal expansion, will be delivered on-line.
Compulsory literature:
1. Introduction to solid state physics, Charles Kittel, John Wiley & sons (1996).
2. R. M. Martin, Electronic Structure: Basic Theory and Practical Methods, Cambridge University Press 2004.
3 J. Stohr, H. C. Siegmann, Magnetism: from Fundamentals to Nanoscale Dynamics, Springer 2006.
Recommended literature:
1. N. Ashcroft, N. Mermin, Solid State Physics, Cengage Learning 1976.
2. E. Kaxiras, Atomic and Electronic Structure of Solids, Cambridge University Press 2003.
Way of continuous check of knowledge in the course of semester
E-learning
Other requirements
Project elaboration for selected solid state physical properties based upon knowledge electronic structure of the matter, e.g. thermal expansion of Si.
Prerequisities
Subject has no prerequisities.
Co-requisities
Subject has no co-requisities.
Subject syllabus:
The subject deals with electronic structure of solid crystalline matter. The subject starts with relation between crystal symmetry, electronic structure and its physical properties. Then, general principles of ab-initio calculations are presented, together with discussion of related approximations, Knowing the electronic structure, many physical properties can be expressed, which is demonstrated on example of elastic constants, lattice vibrations, electrical and thermal conductivity as well as on example of optical properties of solids. Later, the spin-polarization in solids (magnetic ordering, e.g. ferro-, antiferro-, ferri-, spin-spiral etc.) is discussed. Finally, the importance of spin-orbit interaction and its effect on many physical properties is demonstrated. Practical example, e.g. calculation of a Si thermal expansion, will be delivered on-line.
Conditions for subject completion
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
Předmět neobsahuje žádné hodnocení.