A self-consistent, relativistic implementation of the LSDA plus DMFT method
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F17%3A43932277" target="_blank" >RIV/49777513:23640/17:43932277 - isvavai.cz</a>
Výsledek na webu
<a href="http://dx.doi.org/10.1140/epjst/e2017-70047-5" target="_blank" >http://dx.doi.org/10.1140/epjst/e2017-70047-5</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1140/epjst/e2017-70047-5" target="_blank" >10.1140/epjst/e2017-70047-5</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
A self-consistent, relativistic implementation of the LSDA plus DMFT method
Popis výsledku v původním jazyce
Abstract. 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.
Název v anglickém jazyce
A self-consistent, relativistic implementation of the LSDA plus DMFT method
Popis výsledku anglicky
Abstract. 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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Návaznosti výsledku
Projekt
—
Návaznosti
O - Projekt operacniho programu
Ostatní
Rok uplatnění
2017
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
European Physical Journal-Special Topics
ISSN
1951-6355
e-ISSN
—
Svazek periodika
226
Číslo periodika v rámci svazku
11
Stát vydavatele periodika
DE - Spolková republika Německo
Počet stran výsledku
22
Strana od-do
2477-2498
Kód UT WoS článku
000404918800004
EID výsledku v databázi Scopus
2-s2.0-85021708118