Magnetic properties of Mn-doped Bi2Se3 topological insulators: ab initio calculations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F20%3A00534792" target="_blank" >RIV/68378271:_____/20:00534792 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/20:10411118

Výsledek na webu

<a href="https://doi.org/10.1103/PhysRevB.101.054428" target="_blank" >https://doi.org/10.1103/PhysRevB.101.054428</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.101.054428" target="_blank" >10.1103/PhysRevB.101.054428</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Magnetic properties of Mn-doped Bi2Se3 topological insulators: ab initio calculations

Popis výsledku v původním jazyce

Doping Bi2Se3 by Mn dopants is an interesting problem since it may break the time-reversal symmetry needed to maintain the topological insulator character. Different Curie temperatures or no ferromagnetic order are reported for comparable Mn concentrations. We have calculated ab initio the Bi2Se3 electronic structure influenced by Mn dopants, and exchange interactions between them. We have considered two possible Mn positions, the substitutional and interstitial one, and also native defects. We have found a relaxation of atoms around Mn, which affects significantly magnetic interactions. Based on the calculated data we performed spin dynamics simulations to examine systematically the resulting magnetic order for various defect contents. We have found under which conditions the experimentally measured Curie temperatures TC can be reproduced. We predict the change of TC with a shift of Fermi level, which opens the way to tune the system magnetic properties by selective doping.

Název v anglickém jazyce

Magnetic properties of Mn-doped Bi2Se3 topological insulators: ab initio calculations

Popis výsledku anglicky

Doping Bi2Se3 by Mn dopants is an interesting problem since it may break the time-reversal symmetry needed to maintain the topological insulator character. Different Curie temperatures or no ferromagnetic order are reported for comparable Mn concentrations. We have calculated ab initio the Bi2Se3 electronic structure influenced by Mn dopants, and exchange interactions between them. We have considered two possible Mn positions, the substitutional and interstitial one, and also native defects. We have found a relaxation of atoms around Mn, which affects significantly magnetic interactions. Based on the calculated data we performed spin dynamics simulations to examine systematically the resulting magnetic order for various defect contents. We have found under which conditions the experimentally measured Curie temperatures TC can be reproduced. We predict the change of TC with a shift of Fermi level, which opens the way to tune the system magnetic properties by selective doping.

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

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

Physical Review B

ISSN

2469-9950

e-ISSN

—

Svazek periodika

101

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

1-12

Kód UT WoS článku

000514683900002

EID výsledku v databázi Scopus

2-s2.0-85079825227