کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1607200 1516229 2016 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Study on the electronic structure of α-U2N3 by XPS and first principles
ترجمه فارسی عنوان
بررسی ساختار الکترونیکی α-U2N3 توسط XPS و اصول اولیه
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
چکیده انگلیسی


• XPS spectra of α-U2N3 indicates that α-U2N3 has some metallic bonding character.
• First principles calculation was the first time carried out on α-U2N3.
• Experimental and theoretical results show the U 5f electrons of α-U2N3 are in localized state.
• Compared with UN, the covalent property of α-U2N3 is more evident.

Film samples of α-U2N3 were prepared. The stoichiometry and crystal structure of the samples were identified to be α-U2N3 by AES and XRD separately. U 4f peaks in XPS spectra are obvious asymmetry, indicating that α-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 α-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.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 664, 15 April 2016, Pages 745–749
نویسندگان
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