Advanced Physical Research

ISSN Print: 2663-8436

ISSN Online: 3105-3548

Advanced Physical Research is an open access Journal, publishing fully peer-reviewed original and review papers as well as brief reports on topics in all areas of theoretical and applied physics. The journal provides a platform for researchers who wish to summarize a field of physics research and share this work as widely as possible. The published papers provide an overview of the main developments on a particular topic, with an emphasis on recent developments, and sketch an outlook on future developments.

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Density Functional Theory Perspective on Zn Adsorption on the NiFe₂O₄ (001) surface

Published: 18-02-2026

https://doi.org/10.62476/apr.81162

Abstract

In this study, the structural and electronic properties of NiFe₂O₄ were investigated with a focus on the effects of Zn adsorption on the (001) surface. Zn adsorption on the NiFe₂O₄(001) surface was explored at three different sites (top, bridge, and hollow), and the resulting adsorption energies are in good agreement with previously reported values for analogous systems. The adsorption of Zn significantly alters the crystal structure and the electronic band structure, affects the magnetic characteristics of the material. Density of states analysis demonstrates that Zn adsorption on NiFe₂O₄ (001) surface is a strong spin asymmetry between the spin-up and spin-down channels, indicating exchange splitting and long-range magnetic order. These findings provide valuable insights into the role of Zn adsorption in tuning the electronic and magnetic properties of NiFe₂O₄, highlighting its potential for surface-engineered spintronic and catalytic applications.