Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F13%3A43885185" target="_blank" >RIV/60076658:12520/13:43885185 - isvavai.cz</a>

Výsledek na webu

<a href="http://www.sciencedirect.com/science/article/pii/S0022459613004568" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0022459613004568</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jssc.2013.09.041" target="_blank" >10.1016/j.jssc.2013.09.041</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy

Popis výsledku v původním jazyce

Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn2CoSi inverse Heusler alloy. The five types of disorder in Mn2CoSi have been proposed and investigated in detail. The A2(a)-type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO3a- and A2(b)-type disorder and for smallest disorder concentration studied in DO3b-type disorder. Lower formation energy/atom for A2(b)-type disorder than other four disorders in Mn2CoSi advocates the stability of this disorder. The total magnetic moment shows a strongdependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn2CoSi inverse Heusler alloy in device

Název v anglickém jazyce

Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy

Popis výsledku anglicky

Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn2CoSi inverse Heusler alloy. The five types of disorder in Mn2CoSi have been proposed and investigated in detail. The A2(a)-type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO3a- and A2(b)-type disorder and for smallest disorder concentration studied in DO3b-type disorder. Lower formation energy/atom for A2(b)-type disorder than other four disorders in Mn2CoSi advocates the stability of this disorder. The total magnetic moment shows a strongdependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn2CoSi inverse Heusler alloy in device

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název periodika

Journal of Solid State Chemistry

ISSN

0022-4596

e-ISSN

—

Svazek periodika

208

Číslo periodika v rámci svazku

Neuveden

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

71-77

Kód UT WoS článku

000327287600011

EID výsledku v databázi Scopus

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