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Study on the electronic structure of alpha-U2N3 by XPS and first principles

Author:
Long, Zhong  Luo, Lizhu  Lu, Yong  Hu, Yin  Liu, Kezhao  Lai, Xinchun  


Journal:
JOURNAL OF ALLOYS AND COMPOUNDS


Issue Date:
2016


Abstract(summary):

Film samples of alpha-U2N3 were prepared. The stoichiometry and crystal structure of the samples were identified to be alpha-U2N3 by AES and XRD separately. U 4f peaks in XPS spectra are obvious asymmetry, indicating that alpha-U2N3 has some metallic bonding character. The U 5f electrons are in localized state, which produces a strong and sharp peak near the Fermi level. The theoretical results from first principles calculations are in good agreement with the XPS data. Compared with UN, the valence charge of U atoms in alpha-U2N3 is higher, and the covalent property between U-N atoms is more evident. However, in XPS spectra no distinct shift of N 1s peaks is observed between the two nitrides. (C) 2016 Elsevier B.V. All rights reserved.


Page:
745---749


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