Magnetic Compton profiles of disordered Fe 0.5 Ni 0.5 and ordered FeNi alloys
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F18%3A43952831" target="_blank" >RIV/49777513:23640/18:43952831 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.97.144408" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.97.144408</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.97.144408" target="_blank" >10.1103/PhysRevB.97.144408</a>
Alternative languages
Result language
angličtina
Original language name
Magnetic Compton profiles of disordered Fe 0.5 Ni 0.5 and ordered FeNi alloys
Original language description
WestudythemagneticComptonprofile(MCP)ofthedisorderedFe0.5Ni0.5 andoftheorderedFeNialloysand discusstheinterplaybetweenstructuraldisorderandelectroniccorrelations.Thecoherentpotentialapproximation is employed to model the substitutional disorder within the single-site approximation, while local electronic correlations are captured with the dynamical mean field theory. Comparison with the experimental data reveals the limitation of local spin-density approximation in the low momentum region, where we show that including local but dynamic correlations the experimental spectra is excellently described. We further show that using local spin-density approximation no significant difference is seen between the MCP spectra of the disordered Fe0.5Ni0.5 andahypotheticalFeNialloyhavingtheorderedCuAuL10 structure.Onlybyincludingtheelectronic correlations, the spectra significantly separate, from the second Brillouin zone boundary down to zero momenta. The difference between the MCP spectra of ordered and disordered alloys is discussed also in terms of the atomic-typedecompositions.FinallybasedonthepresentedcalculationswepredicttheshapeoftheMCPprofile for the ordered FeNi alloy along the [111] direction.
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
<a href="/en/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Computational and Experimental Design of Advanced Materials with New Functionalities</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
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
97
Issue of the periodical within the volume
14
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
"NESTRÁNKOVÁNO"
UT code for WoS article
000430056200002
EID of the result in the Scopus database
2-s2.0-85045441140