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Title: Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism

Abstract

We performed x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) measurements at Fe L{sub 2,3} and N K-edges for Fe{sub 4}N epitaxial films grown by molecular beam epitaxy. In order to clarify the element specific local electronic structure of Fe{sub 4}N, we compared experimentally obtained XAS and XMCD spectra with those simulated by a combination of a first-principles calculation and Fermi's golden rule. We revealed that the shoulders observed at Fe L{sub 2,3}-edges in the XAS and XMCD spectra were due to the electric dipole transition from the Fe 2p core-level to the hybridization state generated by σ* anti-bonding between the orbitals of N 2p at the body-centered site and Fe 3d on the face-centered (II) sites. Thus, the observed shoulders were attributed to the local electronic structure of Fe atoms at II sites. As to the N K-edge, the line shape of the obtained spectra was explained by the dipole transition from the N 1s core-level to the hybridization state formed by π* and σ* anti-bondings between the Fe 3d and N 2p orbitals. This hybridization plays an important role in featuring the electronic structures and physical properties of Fe{sub 4}N.

Authors:
 [1];  [2];  [3]; ;  [1]; ;  [4];  [5];  [6]
  1. Institute of Applied Physics, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)
  2. (Japan)
  3. (JSPS), Chiyoda, Tokyo 102-0083 (Japan)
  4. Condensed Matter Science Division, Japan Atomic Energy Agency (JAEA), Sayo, Hyogo 679-5148 (Japan)
  5. The Institute of Scientific and Industrial Research (ISIR), Osaka University, Ibaraki, Osaka 567-0047 (Japan)
  6. Graduate School of Science, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8526 (Japan)
Publication Date:
OSTI Identifier:
22410210
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 117; Journal Issue: 19; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTROSCOPY; ATOMS; COMPARATIVE EVALUATIONS; DIPOLES; E1-TRANSITIONS; ELECTRONIC STRUCTURE; FILMS; IRON NITRIDES; MAGNETIC CIRCULAR DICHROISM; MOLECULAR BEAM EPITAXY; PHYSICAL PROPERTIES; X-RAY SPECTROSCOPY

Citation Formats

Ito, Keita, E-mail: keita.ito.729@gmail.com, Department of Electronic Engineering, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan Society for the Promotion of Science, Toko, Kaoru, Suemasu, Takashi, Takeda, Yukiharu, Saitoh, Yuji, Oguchi, Tamio, and Kimura, Akio. Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism. United States: N. p., 2015. Web. doi:10.1063/1.4921431.
Ito, Keita, E-mail: keita.ito.729@gmail.com, Department of Electronic Engineering, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan Society for the Promotion of Science, Toko, Kaoru, Suemasu, Takashi, Takeda, Yukiharu, Saitoh, Yuji, Oguchi, Tamio, & Kimura, Akio. Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism. United States. doi:10.1063/1.4921431.
Ito, Keita, E-mail: keita.ito.729@gmail.com, Department of Electronic Engineering, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan Society for the Promotion of Science, Toko, Kaoru, Suemasu, Takashi, Takeda, Yukiharu, Saitoh, Yuji, Oguchi, Tamio, and Kimura, Akio. Thu . "Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism". United States. doi:10.1063/1.4921431.
@article{osti_22410210,
title = {Local electronic states of Fe{sub 4}N films revealed by x-ray absorption spectroscopy and x-ray magnetic circular dichroism},
author = {Ito, Keita, E-mail: keita.ito.729@gmail.com and Department of Electronic Engineering, Graduate School of Engineering, Tohoku University, Sendai 980-8579 and Japan Society for the Promotion of Science and Toko, Kaoru and Suemasu, Takashi and Takeda, Yukiharu and Saitoh, Yuji and Oguchi, Tamio and Kimura, Akio},
abstractNote = {We performed x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) measurements at Fe L{sub 2,3} and N K-edges for Fe{sub 4}N epitaxial films grown by molecular beam epitaxy. In order to clarify the element specific local electronic structure of Fe{sub 4}N, we compared experimentally obtained XAS and XMCD spectra with those simulated by a combination of a first-principles calculation and Fermi's golden rule. We revealed that the shoulders observed at Fe L{sub 2,3}-edges in the XAS and XMCD spectra were due to the electric dipole transition from the Fe 2p core-level to the hybridization state generated by σ* anti-bonding between the orbitals of N 2p at the body-centered site and Fe 3d on the face-centered (II) sites. Thus, the observed shoulders were attributed to the local electronic structure of Fe atoms at II sites. As to the N K-edge, the line shape of the obtained spectra was explained by the dipole transition from the N 1s core-level to the hybridization state formed by π* and σ* anti-bondings between the Fe 3d and N 2p orbitals. This hybridization plays an important role in featuring the electronic structures and physical properties of Fe{sub 4}N.},
doi = {10.1063/1.4921431},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 19,
volume = 117,
place = {United States},
year = {2015},
month = {5}
}