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Article

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Title

Insights into dysprosium-doped bismuth ferrite: A combined experimental and DFT study on structural, optical, and magnetic properties

Authors

[ 1 ] Wydział Inżynierii Materiałowej i Fizyki Technicznej, Politechnika Poznańska | [ SzD ] doctoral school student

Scientific discipline (Law 2.0)

[2.8] Materials engineering

Year of publication

2025

Published in

Physica B: Condensed Matter

Journal year: 2025 | Journal volume: vol. 713

Article type

scientific article

Publication language

english

Abstract

EN Bi1- xDyxFeO3 (x = 0.0, 0.03, 0.04, and 0.05) were synthesized successfully through the sol-gel auto-combustion technique. This study examined how incorporating Dy3+ ions into BiFeO3 affects structural, optical and magnetic properties experimentally and also by applying Density Functional Theory (DFT). X-ray diffraction analysis confirmed the space group R3c, rhombohedral perovskite structure, with crystallite size reaching its maximum at 56.47 nm for x = 0.04. At this concentration, magnetic moments (μB) of 2.49 and 2.40 were observed experimentally and theoretically, respectively. For theoretical calculations Wien2k software was used by utilizing LDA + U. DFT simulations for pure and substituted BiFeO3 revealed optical absorption onsets of 2.65 eV, 2.60 eV, 2.46 eV, and 2.40 eV for Dy-doped BFO samples, which closely matched the experimental results. Furthermore, calculated magnetic moments were also in good agreement experimentally. Thus, the proposed materials are the best suited for electronics, waveguides, photonic crystals and microwave devices.

Date of online publication

15.09.2025

Pages (from - to)

417361-1 - 417361-14

DOI

10.1016/j.physb.2025.417361

URL

https://www.sciencedirect.com/science/article/pii/S0921452625004788?via%3Dihub

Ministry points / journal

70

Impact Factor

2,8 [List 2023]

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