BIP! Finder - Ab initiox-ray absorption study of Mn K-edge XANES spectra in Mn3MC (M = Sn, Zn and Ga) compounds

2007 • Ab initiox-ray absorption study of Mn K-edge XANES spectra in Mn3MC (M = Sn, Zn and Ga) compounds

Authors: Naomi Kawamura; Hiroshi Maruyama; Jesús Chaboy

Venue: Journal of Physics: Condensed Matter

Type: Publication

Abstract: This work reports a theoretical x-ray absorption near-edge structure (XANES) spectroscopy study at the Mn K-edge in several Mn3MC (M = Sn, Zn and Ga) compounds. Comparison of the experimental Mn K-edge XANES spectra and theoretical computations based on multiple scattering theory shows that standard single-channel calculations are not able to reproduce the experimental spectra. The comparison between experimental data and ab initio computations indicates the need to include the charge transfer and hybridization between the absorbing Mn atom and... (read more)

Impact:

1.8837805E-9 3.5628474E-9 17 3

/ Attention: 0 19

Topics: Crystallography

DOI: 10.1088/0953-8984/19/21/216214

External links: Crossref OpenAIRE

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