A self-consistent, relativistic implementation of the LSDA plus DMFT method
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
A self-consistent, relativistic implementation of the LSDA plus DMFT method
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
O - Projekt operacniho programu
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
European Physical Journal-Special Topics
ISSN
1951-6355
e-ISSN
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Volume of the periodical
226
Issue of the periodical within the volume
11
Country of publishing house
DE - GERMANY
Number of pages
22
Pages from-to
2477-2498
UT code for WoS article
000404918800004
EID of the result in the Scopus database
2-s2.0-85021708118