https://doi.org/10.1140/epjb/s10051-025-00861-1
Regular Article - Solid State and Materials
Theoretical investigation of electronic and magnetic properties in low-dimensional spin
compounds:
(X = P, V)
Department of Physics, Aliah University, IIA/27-Newtown, 700160, Kolkata, West Bengal, India
Received:
12
August
2024
Accepted:
3
January
2025
Published online:
24
January
2025
This paper presents a comparative study of low-dimensional spin compounds, CuInO
and CuInO
, utilizing first-principles density functional theory within the generalized gradient approximation for exchange-correlation functionals. The primary objective is to investigate the electronic and magnetic properties of these compounds, emphasizing the superexchange interactions between the magnetic ions and deriving the underlying spin models. The dominant magnetic interaction J1 = 9.89 meV which is antiferromagnetic for CuInO
whereas J1 = 22.8 meV and J2 = 7.7 meV which are also antiferromagnetic in nature for CuInO
. This analysis reveals distinct magnetic structures i.e CuInO
features an interacting spin
antiferromagnetic chain, while CuInO
exhibits an interacting spin
antiferromagnetic tetramer. The magnetic behavior of both materials is primarily governed by dominant antiferromagnetic interactions J1 though the presence of sizable interactions J2 and J4 in the CuInO
compound make the difference in the magnetic structure. The obtained results contribute to a deeper understanding of these materials’ microscopic properties.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2025
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.