Nature defect-mediated room temperature ferromagnetism in lead-free ferroelectric Ba(Zr0.2Ti0.8)O3: A first-principles study

Nature defect-mediated room temperature ferromagnetism in lead-free ferroelectric Ba(Zr0.2Ti0.8)O3: A first-principles study

In this study, we employ density functional theory to investigate the impact of vacancy defects on complex lead-free ferroelectric Ba(Zr0.2Ti0.8)O3 material. Our results demonstrate that the undoped Ba(Zr0.2Ti0.8)O3 crystal behaves as a p-type semiconductor with an indirect bandgap of 1.60 eV. The i...

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Bibliographic Details
Main Authors: V.T. Lam, N.H. Lam, D.Q. Van, N.T. Trang, J.P. Singh, N.H. Linh, N.H. Thoan, N.N. Trung, D.D. Dung
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Next Materials
Subjects:
Ba(Zr0.2Ti0.8)O3
Vacancy defects
Magnetic property
Optoelectronic
Online Access:http://www.sciencedirect.com/science/article/pii/S2949822825004344
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