Self-konsistentná, relativistická implementácia LSDA+DMFT metódy
| dc.contributor.author | Minár, Jan | |
| dc.contributor.author | Ebert, Hubert | |
| dc.contributor.author | Chioncel, Liviu | |
| dc.date.accessioned | 2018-02-21T11:35:23Z | |
| dc.date.available | 2018-02-21T11:35:23Z | |
| dc.date.issued | 2017 | |
| dc.description.abstract | V tomto prehľadovom článku ukazujememe nový vývoj metódy LSDA+DMFT tak ako je naimplementovaná v KKR metóde. Okrem formalizmu sa zameriame na niekoľko príkladov a aplikácii tejto metódy ako napr GaMaAs, ARPES a magntický Comptov profil | cs |
| dc.description.abstract-translated | In this review we report on developments and various applications of the combined Density Functional and Dynamical Mean-Field Theory, the so-called LSDA + DMFT method, as implemented within the fully relativistic KKR (Korringa-Kohn-Rostoker) band structure method. The KKR uses a description of the electronic structure in terms of the single-particle Green function, which allows to study correlation effects in ordered and disordered systems independently of its dimensionality (bulk, surfaces and nano-structures). We present self-consistent LSDA+DMFT results for the ground state and spectroscopic properties of transition metal elements and their compounds. In particular we discuss the spin-orbit induced orbital magnetic moments for Fex Ni1−x disordered alloys, the magnetic Compton profiles of fcc Ni and the angle-resolved photoemission spectroscopy (ARPES) spectra for gallium manganese arsenide dilute magnetic semiconductors. For the (GaMn)As system a direct comparison with the experimental ARPES spectra demonstrates the importance of matrix element effects, the presence of the semi-infinite surface and the inclusion of layer-dependent self-energies. | en |
| dc.format | 22 s. | cs |
| dc.format.mimetype | application/pdf | |
| dc.identifier.citation | MINÁR, J., EBERT, H., CHIONCEL, L. A self-consistent, relativistic implementation of the LSDA plus DMFT method. European Physical Journal-Special Topics, 2017, roč. 226, č. 11, s. 2477-2498. ISSN 1951-6355. | en |
| dc.identifier.doi | 10.1140/epjst/e2017-70047-5 | |
| dc.identifier.issn | 1951-6355 | |
| dc.identifier.obd | 43919137 | |
| dc.identifier.uri | http://hdl.handle.net/11025/29238 | |
| dc.language.iso | en | en |
| dc.publisher | EDP Sciences | en |
| dc.rights | Plný text není přístupný. | cs |
| dc.rights | © EDP Sciences | en |
| dc.rights.access | closedAccess | en |
| dc.subject | LSDA+DMFT, KKR, magnetický Comptonov profil | cs |
| dc.subject.translated | LSDA+DMFT, KKR, Magntic Compton profile | en |
| dc.title | Self-konsistentná, relativistická implementácia LSDA+DMFT metódy | cs |
| dc.title | A self-consistent, relativistic implementation of the LSDA plus DMFT method | en |
| dc.type | článek | cs |
| dc.type | article | en |
| dc.type.status | Peer-reviewed | en |
| dc.type.version | publishedVersion | en |