Theoretical study on the anisotropic electronic structure of antiferromagnetic BaFe2As2 and Co-doped Ba(Fe1MINUS SIGN xCox)2As2 as seen by angle-resolved photoemission
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F16%3A43929038" target="_blank" >RIV/49777513:23640/16:43929038 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.93.144513" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.93.144513</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.93.144513" target="_blank" >10.1103/PhysRevB.93.144513</a>
Alternative languages
Result language
angličtina
Original language name
Theoretical study on the anisotropic electronic structure of antiferromagnetic BaFe2As2 and Co-doped Ba(Fe1MINUS SIGN xCox)2As2 as seen by angle-resolved photoemission
Original language description
By means of one-step model calculations the strong in-plane anisotropy seen in angle-resolved photoemission of the well-known iron pnictide prototype compounds BaFe2 As2 and Ba(Fe1MINUS SIGN xCox )2 As2 in their low-temperature antiferromagnetic phases is investigated. The fully relativistic calculations are based on the Korringa-Kohn- Rostoker-Green function approach combined with the coherent potential approximation alloy theory to account for the disorder induced by Co substitution on Fe sites in a reliable way. The results of the calculations can be compared directly to experimental spectra of detwinned single crystals. One finds very good agreement with experiment and can reveal all features of the electronic structure contributing to the in-plane anisotropy. In particular the local density approximation can capture most of the correlation effects for the investigated system without the need for more advanced techniques. In addition, the evolution of the anisotropy for increasing Co concentration x in Ba(Fe1MINUS SIGN x Cox )2 As2 can be tracked almost continuously. The results are also used to discuss surface effects and it is possible to identify clear signatures to make conclusions about different types of surface termination.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - 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
<a href="/en/project/LO1402" target="_blank" >LO1402: CENTEM+</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
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Volume of the periodical
93
Issue of the periodical within the volume
14
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
'144513-1'-144513-10'
UT code for WoS article
000374943900008
EID of the result in the Scopus database
2-s2.0-84964597407