First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloys

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00534552" target="_blank" >RIV/68378271:_____/20:00534552 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/20:10417433 RIV/00216305:26210/20:PU136476

Výsledek na webu

<a href="http://hdl.handle.net/11104/0312735" target="_blank" >http://hdl.handle.net/11104/0312735</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/2053-1591/ab6925" target="_blank" >10.1088/2053-1591/ab6925</a>

Jazyk výsledku

angličtina

Název v původním jazyce

First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloys

Popis výsledku v původním jazyce

The effect of Zn doping on Ni-Mn-Ga magnetic shape memory alloy was studied by the firstprinciples calculations using exact muffin-tin orbital method in combination with the coherentpotential approximation and projector augmented-wave method. Trends in martensitic transformation temperature TMand Curie temperature TC were predicted from calculated energy differences between austenite and nonmodulated martensite,ΔEA−NM, and energy differences between paramagnetic and ferromagnetic state,ΔEPM−FM. Doping upon the Ga-sublattice results in stabilization of martensitic phase which indicates the increase in TM. TC is affected only weakly or slightly decreases, becauseΔEPM−FM of martensite does not change significantly with doping. The substitution ofMnatoms by Zn causes the decrease in both TMand TC. Comparing to Cu-doped Ni-Mn-Ga alloys, we predict that doping with Zn results in smaller decrease in TC but also in smaller increase in TM.

Název v anglickém jazyce

First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloys

Popis výsledku anglicky

The effect of Zn doping on Ni-Mn-Ga magnetic shape memory alloy was studied by the firstprinciples calculations using exact muffin-tin orbital method in combination with the coherentpotential approximation and projector augmented-wave method. Trends in martensitic transformation temperature TMand Curie temperature TC were predicted from calculated energy differences between austenite and nonmodulated martensite,ΔEA−NM, and energy differences between paramagnetic and ferromagnetic state,ΔEPM−FM. Doping upon the Ga-sublattice results in stabilization of martensitic phase which indicates the increase in TM. TC is affected only weakly or slightly decreases, becauseΔEPM−FM of martensite does not change significantly with doping. The substitution ofMnatoms by Zn causes the decrease in both TMand TC. Comparing to Cu-doped Ni-Mn-Ga alloys, we predict that doping with Zn results in smaller decrease in TC but also in smaller increase in TM.

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/GA16-00043S" target="_blank" >GA16-00043S: Pokročilá funkcionalita materiálů s magnetickou tvarovou pamětí pomocí dopování</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Materials Research Express

ISSN

2053-1591

e-ISSN

—

Svazek periodika

7

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

1-11

Kód UT WoS článku

000525697600001

EID výsledku v databázi Scopus

2-s2.0-85079356249