Magnetic properties of Mn-doped Bi2Se3 topological insulators: ab initio calculations
The result's identifiers
Result code in 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>
Alternative codes found
RIV/00216208:11320/20:10411118
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Magnetic properties of Mn-doped Bi2Se3 topological insulators: ab initio calculations
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B
ISSN
2469-9950
e-ISSN
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Volume of the periodical
101
Issue of the periodical within the volume
5
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
1-12
UT code for WoS article
000514683900002
EID of the result in the Scopus database
2-s2.0-85079825227