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

ABSTRACT: 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.

SUBMITTER: Samardak VY

PROVIDER: S-EPMC9921898 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature

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

Samardak Vadim Yu VY Komissarov Alexander A AA Dotsenko Alexander A AA Korochentsev Vladimir V VV Osmushko Ivan S IS Belov Anton A AA Mushtuk Pavel S PS Antonov Valerii A VA Ahmadpour Ghader G Nasirpouri Farzad F Samardak Alexander S AS Ognev Alexey V AV

Materials (Basel, Switzerland) 20230129 3

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 pro ...[more]

PMID: 36770162

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