https://doi.org/10.1140/epjb/s10051-022-00465-z
Regular Article - Solid State and Materials
Eu-doped SnO2 nanosystems from first principles: investigation of structural and electronic properties at different doping positions
1
Department of Physics, Tezpur University, 784028, Tezpur, India
2
Department of Physics, Debraj Roy College, 785621, Golaghat, India
Received:
26
October
2022
Accepted:
6
December
2022
Published online:
14
December
2022
A density-functional theory employing generalized gradient approximation was used to study the Eu-doped SnO2. The work here deals with the investigation of the structural and electronic band arrangements in SnO2 with Eu doped at various sites. Through the formation energy calculation, it is observed that the introduction of Eu favors substitution with Sn affecting the crystallite size without manifesting any interstitial defect formations. Eu is found to contribute more prominently near the Fermi level of SnO2 in comparison to oxygen. The higher value of energy state’s peak for Eu doped at the top surface indicates that the contribution of Eu as dopant decreases with the increase in the coordination number.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2022. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
