Presence of room temperature ferromagnetism (RTFM) is essential for the generation of new class of materials that have magnetic as well as semiconducting properties known as diluted magnetic semiconductors (DMSs). A 3d Transition metals (TMs) doping on DMSs improve their electrical, thermal and magnetic properties and also enhance their potentiality for the generation of emerging spintronic devices. Electronic and magnetic behaviors of, Fe and Ni doped ZnO were investigated using the density functional theory (DFT) with generalized gradient approximation and Hubbard on-site corrections (GGA+U). The results illustrated that pure and doped systems of ZnO have a direct bandgap. The calculated bandgap of pure ZnO is in agreement with the experimental findings while a decrease in bandgap found is due to the doping of Fe and Ni on ZnO, respectively. Total density of state (TDOS) plot illustrates that pure ZnO is diamagnetic, while Ferromagnetism was observed due to doping effect of Fe and Ni on ZnO. Results from Partial density of states (PDOS) shows that the asymmetric behavior of spin up and spin down on the d-electrons of Fe on ZnO are more compared to that of Ni on ZnO. Making it more promising candidate for spintronic applications.
| Published in | International Journal of Materials Science and Applications (Volume 14, Issue 2) |
| DOI | 10.11648/j.ijmsa.20251402.12 |
| Page(s) | 53-59 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2025. Published by Science Publishing Group |
DMSs, RTFM, TMs, ZnO, DFT
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APA Style
Abdullahi, A. B., Lawan, N. A., Said, M., Babaji, G., Danmaraya, Y. A. (2025). First Principles Assessment of Electronic and Magnetic Properties of Fe and Ni Doped ZnO for Spintronic Applications. International Journal of Materials Science and Applications, 14(2), 53-59. https://doi.org/10.11648/j.ijmsa.20251402.12
ACS Style
Abdullahi, A. B.; Lawan, N. A.; Said, M.; Babaji, G.; Danmaraya, Y. A. First Principles Assessment of Electronic and Magnetic Properties of Fe and Ni Doped ZnO for Spintronic Applications. Int. J. Mater. Sci. Appl. 2025, 14(2), 53-59. doi: 10.11648/j.ijmsa.20251402.12
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Download@article{10.11648/j.ijmsa.20251402.12,
author = {Ahmed Bappah Abdullahi and Nasiru Aabdullahi Lawan and Mansur Said and Garba Babaji and Yahaya Aliyu Danmaraya},
title = {First Principles Assessment of Electronic and Magnetic Properties of Fe and Ni Doped ZnO for Spintronic Applications
},
journal = {International Journal of Materials Science and Applications},
volume = {14},
number = {2},
pages = {53-59},
doi = {10.11648/j.ijmsa.20251402.12},
url = {https://doi.org/10.11648/j.ijmsa.20251402.12},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijmsa.20251402.12},
abstract = {Presence of room temperature ferromagnetism (RTFM) is essential for the generation of new class of materials that have magnetic as well as semiconducting properties known as diluted magnetic semiconductors (DMSs). A 3d Transition metals (TMs) doping on DMSs improve their electrical, thermal and magnetic properties and also enhance their potentiality for the generation of emerging spintronic devices. Electronic and magnetic behaviors of, Fe and Ni doped ZnO were investigated using the density functional theory (DFT) with generalized gradient approximation and Hubbard on-site corrections (GGA+U). The results illustrated that pure and doped systems of ZnO have a direct bandgap. The calculated bandgap of pure ZnO is in agreement with the experimental findings while a decrease in bandgap found is due to the doping of Fe and Ni on ZnO, respectively. Total density of state (TDOS) plot illustrates that pure ZnO is diamagnetic, while Ferromagnetism was observed due to doping effect of Fe and Ni on ZnO. Results from Partial density of states (PDOS) shows that the asymmetric behavior of spin up and spin down on the d-electrons of Fe on ZnO are more compared to that of Ni on ZnO. Making it more promising candidate for spintronic applications.
},
year = {2025}
}
TY - JOUR T1 - First Principles Assessment of Electronic and Magnetic Properties of Fe and Ni Doped ZnO for Spintronic Applications AU - Ahmed Bappah Abdullahi AU - Nasiru Aabdullahi Lawan AU - Mansur Said AU - Garba Babaji AU - Yahaya Aliyu Danmaraya Y1 - 2025/05/29 PY - 2025 N1 - https://doi.org/10.11648/j.ijmsa.20251402.12 DO - 10.11648/j.ijmsa.20251402.12 T2 - International Journal of Materials Science and Applications JF - International Journal of Materials Science and Applications JO - International Journal of Materials Science and Applications SP - 53 EP - 59 PB - Science Publishing Group SN - 2327-2643 UR - https://doi.org/10.11648/j.ijmsa.20251402.12 AB - Presence of room temperature ferromagnetism (RTFM) is essential for the generation of new class of materials that have magnetic as well as semiconducting properties known as diluted magnetic semiconductors (DMSs). A 3d Transition metals (TMs) doping on DMSs improve their electrical, thermal and magnetic properties and also enhance their potentiality for the generation of emerging spintronic devices. Electronic and magnetic behaviors of, Fe and Ni doped ZnO were investigated using the density functional theory (DFT) with generalized gradient approximation and Hubbard on-site corrections (GGA+U). The results illustrated that pure and doped systems of ZnO have a direct bandgap. The calculated bandgap of pure ZnO is in agreement with the experimental findings while a decrease in bandgap found is due to the doping of Fe and Ni on ZnO, respectively. Total density of state (TDOS) plot illustrates that pure ZnO is diamagnetic, while Ferromagnetism was observed due to doping effect of Fe and Ni on ZnO. Results from Partial density of states (PDOS) shows that the asymmetric behavior of spin up and spin down on the d-electrons of Fe on ZnO are more compared to that of Ni on ZnO. Making it more promising candidate for spintronic applications. VL - 14 IS - 2 ER -
Department of Physics, Faculty of Science, Gombe State University, Gombe, Nigeria
Department of Physics, Faculty of Physical Sciences, Bayero University, Kano, Nigeria
Department of Physics, Faculty of Science, Yusuf Maitama Sule University, Kano, Nigeria
Department of Physics, Faculty of Physical Sciences, Bayero University, Kano, Nigeria
Department of Chemistry, Faculty of Science, Yusuf Maitama Sule University, Kano, Nigeria
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