Induced ferromagnetism on late transition metals adsorbed on Antimony Arsenide monolayer from First-Principles

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F22%3AA2302E3V" target="_blank" >RIV/61988987:17310/22:A2302E3V - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.jmmm.2021.168658" target="_blank" >http://dx.doi.org/10.1016/j.jmmm.2021.168658</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jmmm.2021.168658" target="_blank" >10.1016/j.jmmm.2021.168658</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Induced ferromagnetism on late transition metals adsorbed on Antimony Arsenide monolayer from First-Principles

Popis výsledku v původním jazyce

We investigate the structural, electronic and magnetic properties of transition metal (including Mn, Fe, Co, Ni, Cu, Rh and Pd) adsorbed on SbAs monolayer by using density functional theory. We found that an induced magnetic moment is observed for Mn, Fe, Co and Rh transition metal atoms, while in the case of Cu and Ni it is suppressed by local distortions. Our calculations show that Mn, Fe, Co and Rh can induce total spin magnetic moment of 4.86μB, 3.51μB, 1.99μB and 0.90μB, respectively. The origin of magnetism lays is their d orbital and depends on its filling level. In particular, the total magnetic moment decreases with increasing the number of d electrons. Among the studied transition metals, Mn seems to be the most promising candidate for the introduction of ferromagnetic ordering into SbAs, as it showed a high magnetic moment close to 5μB. Overall, the analysis of the electronic and magnetic properties indicates that transition metal doped SbAs are promising two-dimensional magnetic systems.

Název v anglickém jazyce

Induced ferromagnetism on late transition metals adsorbed on Antimony Arsenide monolayer from First-Principles

Popis výsledku anglicky

We investigate the structural, electronic and magnetic properties of transition metal (including Mn, Fe, Co, Ni, Cu, Rh and Pd) adsorbed on SbAs monolayer by using density functional theory. We found that an induced magnetic moment is observed for Mn, Fe, Co and Rh transition metal atoms, while in the case of Cu and Ni it is suppressed by local distortions. Our calculations show that Mn, Fe, Co and Rh can induce total spin magnetic moment of 4.86μB, 3.51μB, 1.99μB and 0.90μB, respectively. The origin of magnetism lays is their d orbital and depends on its filling level. In particular, the total magnetic moment decreases with increasing the number of d electrons. Among the studied transition metals, Mn seems to be the most promising candidate for the introduction of ferromagnetic ordering into SbAs, as it showed a high magnetic moment close to 5μB. Overall, the analysis of the electronic and magnetic properties indicates that transition metal doped SbAs are promising two-dimensional magnetic systems.

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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

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

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

J MAGN MAGN MATER

ISSN

0304-8853

e-ISSN

1873-4766

Svazek periodika

—

Číslo periodika v rámci svazku

march 2022

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

168658-168663

Kód UT WoS článku

000793376300003

EID výsledku v databázi Scopus

2-s2.0-85118945965