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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| author | Vadim Yu. Samardak Alexander A. Komissarov Alexander A. Dotsenko Vladimir V. Korochentsev Ivan S. Osmushko Anton A. Belov Pavel S. Mushtuk Valerii A. Antonov Ghader Ahmadpour Farzad Nasirpouri Alexander S. Samardak Alexey V. Ognev |
| author_facet | Vadim Yu. Samardak Alexander A. Komissarov Alexander A. Dotsenko Vladimir V. Korochentsev Ivan S. Osmushko Anton A. Belov Pavel S. Mushtuk Valerii A. Antonov Ghader Ahmadpour Farzad Nasirpouri Alexander S. Samardak Alexey V. Ognev |
| author_sort | Vadim Yu. Samardak |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-03-11T09:35:58Z |
| format | Article |
| id | doaj.art-dd23b7a586d04489ac256ecc2497a688 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-11T09:35:58Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-dd23b7a586d04489ac256ecc2497a6882023-11-16T17:17:56ZengMDPI AGMaterials1996-19442023-01-01163115410.3390/ma16031154Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPSVadim Yu. Samardak0Alexander A. Komissarov1Alexander A. Dotsenko2Vladimir V. Korochentsev3Ivan S. Osmushko4Anton A. Belov5Pavel S. Mushtuk6Valerii A. Antonov7Ghader Ahmadpour8Farzad Nasirpouri9Alexander S. Samardak10Alexey V. Ognev11Laboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Electronic Structure and Quantum Chemical Modeling, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaFaculty of Materials Engineering, Sahand University of Technology, Tabriz 5513351996, IranFaculty of Materials Engineering, Sahand University of Technology, Tabriz 5513351996, IranLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaLaboratory of Spin-Orbitronics, Institute of High Technologies and Advanced Materials, Far Eastern Federal University, 10 Ajax Bay, Russky Island, Vladivostok 690922, RussiaNeodymium-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.https://www.mdpi.com/1996-1944/16/3/1154NdFeCoB oxide magnetic particleelectronic structuresphotoelectron spectroscopyquantum chemical modeling |
| spellingShingle | Vadim Yu. Samardak Alexander A. Komissarov Alexander A. Dotsenko Vladimir V. Korochentsev Ivan S. Osmushko Anton A. Belov Pavel S. Mushtuk Valerii A. Antonov Ghader Ahmadpour Farzad Nasirpouri Alexander S. Samardak Alexey V. Ognev Electronic Structure of NdFeCoB Oxide Magnetic Particles Studied by DFT Calculations and XPS Materials NdFeCoB oxide magnetic particle electronic structures photoelectron spectroscopy quantum chemical modeling |
| 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 | NdFeCoB oxide magnetic particle electronic structures photoelectron spectroscopy quantum chemical modeling |
| url | https://www.mdpi.com/1996-1944/16/3/1154 |
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