Theoretical investigation of the electronic and magnetic properties of the orthorhombic phase of Ba(Fe1?x Cox )2 As2
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F14%3A43924272" target="_blank" >RIV/49777513:23640/14:43924272 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.90.184509" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.90.184509</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.90.184509" target="_blank" >10.1103/PhysRevB.90.184509</a>
Alternative languages
Result language
angličtina
Original language name
Theoretical investigation of the electronic and magnetic properties of the orthorhombic phase of Ba(Fe1?x Cox )2 As2
Original language description
We present a comprehensive study on the low-temperature orthorhombic phase of Ba(Fe1?x Cox )2 As2 based on the Korringa-Kohn-Rostoker-Green function approach. Using this band-structure method in combination with the coherent potential approximation alloytheory we are able to investigate the evolution of the magnetic and electronic properties of this prototype iron pnictide for arbitrary concentrations x, while dealing with the chemical disorder without uncontrolled simplifications by using solely a rigid-band shift or the virtual crystal approximation. We discuss the development of the site-resolved magnetic moments for the experimentally observed stripe antiferromagnetic order together with the strong electronic anisotropy of the Fermi surface and compare it with angle-resolved photoemission spectroscopy measurements of detwinned crystals. We furthermore calculate magnetic exchange coupling parameters Jij and use them for Monte Carlo simulations on the basis of the classical Heisenbe
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/ED2.1.00%2F03.0088" target="_blank" >ED2.1.00/03.0088: Centre of the New Technologies and Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2014
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
1098-0121
e-ISSN
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Volume of the periodical
90
Issue of the periodical within the volume
18
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
"'184509.1'"-"'184509.9'"
UT code for WoS article
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EID of the result in the Scopus database
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