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) 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.

Automated summary

The Neodymium-iron-boron magnetic oxide powders synthesized by sol-gel Pechini method were investigated using X-ray photoelectron spectroscopy (XPS) and quantum chemical modeling. The powder structure was examined by X-ray diffraction (XRD) and modeled using density functional theory (DFT) approximation. The electronic structures of the core and valent regions were determined experimentally by X-ray photoelectron spectroscopy and modeled using quantum chemical methods. This study offers valuable insights into the electronic structure and chemical bonding of NdFeCoB oxide particles with the substitution of Fe by Co atoms.