Mn-doping reveals a thermal gap and natural p-type conductivity in Bi2O2Se
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F25%3A39923160" target="_blank" >RIV/00216275:25310/25:39923160 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1039/d5ma00543d" target="_blank" >https://doi.org/10.1039/d5ma00543d</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d5ma00543d" target="_blank" >10.1039/d5ma00543d</a>
Alternative languages
Result language
angličtina
Original language name
Mn-doping reveals a thermal gap and natural p-type conductivity in Bi2O2Se
Original language description
Bi2O2Se is a semiconductor that is being intensively studied due to its many extraordinary properties. Since about 2010, research on polycrystals has focused on thermoelectric materials. For the last 10 years, single crystal research has been driven by its quasi 2D structure with unexpectedly high permittivity (εr ≈ 500), which promotes high electron mobility. Bi2O2Se thus outperforms other 2D materials in many parameters. However, the high permittivity is also responsible for the extremely low critical concentration of the metal-insulator transition (n ≈ 1015 cm-3). Thus, Bi2O2Se is so far only available as an n-type semiconductor largely with metal-like properties, although the electron concentration can range over 6 orders of magnitude (n ≈ 1015-1021 cm-3), reportedly due to the very high concentration of selenium vacancies or selenium antisites on the Bi site. In this paper, we consider Mn doping in Bi2O2Se, Bi2-xMnxO2Se. The Mn doping leads to a decrease in the electron concentration and, for the first time, to a transition of the material to p-type conductivity. A thermal gap (≈ 0.9 eV) can be deduced from the temperature dependence of the electrical conductivity. The p-type transition is related to the interaction of Mn with the defect structure of Bi2O2Se. Our experiments suggest that the most abundant defects, besides the Se vacancies VSe, are the substitutional defect Se atom at the Bi site, SeBi and the O atom at the Se site. From high resolution XRD analysis, we conclude that Mn reduces its concentration and brings the structure to the p-type state. From DFT calculations and magnetic data we infer the substitution of Bi by Mn (MnBi, in a high spin state, mu congruent to 5 mu B), although all experiments indicate a very low solubility nMn = 2.67 x 1018 cm-3 based on magnetic data.
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
20501 - Materials engineering
Result continuities
Project
<a href="/en/project/GA22-05919S" target="_blank" >GA22-05919S: Transition metal doped Bi2O2Se layered semiconductors: correlation of transport, magnetic and thermoelectric properties</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Materials advances
ISSN
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e-ISSN
2633-5409
Volume of the periodical
6
Issue of the periodical within the volume
20
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
7526-7534
UT code for WoS article
001576315100001
EID of the result in the Scopus database
2-s2.0-105018726606