Magnetic Compton profiles of disordered Fe 0.5 Ni 0.5 and ordered FeNi alloys

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Magnetic Compton profiles of disordered Fe 0.5 Ni 0.5 and ordered FeNi alloys

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Magnetic Compton profiles of disordered Fe 0.5 Ni 0.5 and ordered FeNi alloys

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EF15_003%2F0000358" target="_blank" >EF15_003/0000358: Výpočetní a experimentální design pokročilých materiálů s novými funkcionalitami</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

—

Svazek periodika

97

Číslo periodika v rámci svazku

14

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

"NESTRÁNKOVÁNO"

Kód UT WoS článku

000430056200002

EID výsledku v databázi Scopus

2-s2.0-85045441140