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Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS

Neodymium-iron-boron magnetic oxide powders synthesized by sol–gel Pechini method were studied by using X-ray photoelectron spectroscopy (XPS) and quantum chemical modeling. The powder structure was examined by using X-ray diffraction (XRD) and modeled by using density functional theory (DFT) approx...

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Autores principales: Samardak, Vadim Yu., Komissarov, Alexander A., Dotsenko, Alexander A., Korochentsev, Vladimir V., Osmushko, Ivan S., Belov, Anton A., Mushtuk, Pavel S., Antonov, Valerii A., Ahmadpour, Ghader, Nasirpouri, Farzad, Samardak, Alexander S., Ognev, Alexey V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9921898/
https://www.ncbi.nlm.nih.gov/pubmed/36770162
http://dx.doi.org/10.3390/ma16031154
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author Samardak, Vadim Yu.
Komissarov, Alexander A.
Dotsenko, Alexander A.
Korochentsev, Vladimir V.
Osmushko, Ivan S.
Belov, Anton A.
Mushtuk, Pavel S.
Antonov, Valerii A.
Ahmadpour, Ghader
Nasirpouri, Farzad
Samardak, Alexander S.
Ognev, Alexey V.
author_facet Samardak, Vadim Yu.
Komissarov, Alexander A.
Dotsenko, Alexander A.
Korochentsev, Vladimir V.
Osmushko, Ivan S.
Belov, Anton A.
Mushtuk, Pavel S.
Antonov, Valerii A.
Ahmadpour, Ghader
Nasirpouri, Farzad
Samardak, Alexander S.
Ognev, Alexey V.
author_sort Samardak, Vadim Yu.
collection PubMed
description Neodymium-iron-boron magnetic oxide powders synthesized by sol–gel Pechini method were studied by using X-ray photoelectron spectroscopy (XPS) and quantum chemical modeling. The powder structure was examined by using X-ray diffraction (XRD) and modeled by using density functional theory (DFT) approximation. The electronic structures of the core and valent regions were determined experimentally by using X-ray photoelectron spectroscopy and modeled by using quantum chemical methods. This study provides important insights into the electronic structure and chemical bonding of atoms of NdFeCoB oxide particles with the partial substitution of Fe by Co atoms.
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spelling pubmed-99218982023-02-12 Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS Samardak, Vadim Yu. Komissarov, Alexander A. Dotsenko, Alexander A. Korochentsev, Vladimir V. Osmushko, Ivan S. Belov, Anton A. Mushtuk, Pavel S. Antonov, Valerii A. Ahmadpour, Ghader Nasirpouri, Farzad Samardak, Alexander S. Ognev, Alexey V. Materials (Basel) Article Neodymium-iron-boron magnetic oxide powders synthesized by sol–gel Pechini method were studied by using X-ray photoelectron spectroscopy (XPS) and quantum chemical modeling. The powder structure was examined by using X-ray diffraction (XRD) and modeled by using density functional theory (DFT) approximation. The electronic structures of the core and valent regions were determined experimentally by using X-ray photoelectron spectroscopy and modeled by using quantum chemical methods. This study provides important insights into the electronic structure and chemical bonding of atoms of NdFeCoB oxide particles with the partial substitution of Fe by Co atoms. MDPI 2023-01-29 /pmc/articles/PMC9921898/ /pubmed/36770162 http://dx.doi.org/10.3390/ma16031154 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Samardak, Vadim Yu.
Komissarov, Alexander A.
Dotsenko, Alexander A.
Korochentsev, Vladimir V.
Osmushko, Ivan S.
Belov, Anton A.
Mushtuk, Pavel S.
Antonov, Valerii A.
Ahmadpour, Ghader
Nasirpouri, Farzad
Samardak, Alexander S.
Ognev, Alexey V.
Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS
title Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS
title_full Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS
title_fullStr Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS
title_full_unstemmed Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS
title_short Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS
title_sort electronic structure of ndfecob oxide magnetic particles studied by dft calculations and xps
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9921898/
https://www.ncbi.nlm.nih.gov/pubmed/36770162
http://dx.doi.org/10.3390/ma16031154
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