| Title: | Self-konsistentná, relativistická implementácia LSDA+DMFT metódy A self-consistent, relativistic implementation of the LSDA plus DMFT method |
| Authors: | Minár, Jan Ebert, Hubert Chioncel, Liviu |
| 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. |
| Issue Date: | 2017 |
| Publisher: | EDP Sciences |
| Document type: | článek article |
| URI: | http://hdl.handle.net/11025/29238 |
| ISSN: | 1951-6355 |
| Keywords: | LSDA+DMFT, KKR, magnetický Comptonov profil |
| Keywords in different language: | LSDA+DMFT, KKR, Magntic Compton profile |
| 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 |
| Abstract in different language: | 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. |
| Rights: | Plný text není přístupný. © EDP Sciences |
| Appears in Collections: | OpenAire Články / Articles (CTM) OBD |
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| MEC17_FO1346_Minar.pdf | 2,35 MB | Adobe PDF | View/Open Request a copy |
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