Coulomb repulsion and correlation strength in LaFeAsO from density functional and dynamical mean-field theories
Result description
The role of electronic correlations in LaFeAsO is assessed using effective Hubbard Hamiltonian obtained from density functional calculations. It is shown that the on-site interaction parameters depend strongly on the choice of the single-particle Hilbertspace. Application of the dynamical mean-field theory to the effective Hamiltonian yields LaFeAsO moderately correlated.
Keywords
iron pnictideelectronic correlationsdynamical mean-field theory
The result's identifiers
Result code in IS VaVaI
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Coulomb repulsion and correlation strength in LaFeAsO from density functional and dynamical mean-field theories
Original language description
The role of electronic correlations in LaFeAsO is assessed using effective Hubbard Hamiltonian obtained from density functional calculations. It is shown that the on-site interaction parameters depend strongly on the choice of the single-particle Hilbertspace. Application of the dynamical mean-field theory to the effective Hamiltonian yields LaFeAsO moderately correlated.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physics-Condensed Matter
ISSN
0953-8984
e-ISSN
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Volume of the periodical
21
Issue of the periodical within the volume
7
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
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UT code for WoS article
000262897300018
EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BM - Solid-state physics and magnetism
Year of implementation
2009