Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2018 Impact factor 0.961

Nuclear Science and Techniques ›› 2008, Vol. 19 ›› Issue (6): 365-369

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Influence on electron energy loss spectroscopy of the niobium- substituted uranium atom: A density functional theory study

LU Chunhai1, 2,* NI Shijun2 CHEN Wenkai3 ZHANG Chengjiang2 WANG Yongli2   

  1. 1National Key Laboratory for Surface Physics and Chemistry, Mianyang 621907, China 2Sichuan Provincial Key Laboratory for Applied Nuclear Technology in Geology, Chengdu University of Technology, Chengdu 610059, China 3Department of Chemistry, Fuzhou University, Fuzhou 350002, China
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LU Chunhai, NI Shijun, CHEN Wenkai, ZHANG Chengjiang, WANG Yongli. Influence on electron energy loss spectroscopy of the niobium- substituted uranium atom: A density functional theory study.Nuclear Science and Techniques, 2008, 19(6): 365-369

Abstract: We present the electronic structure and electron energy loss spectroscopy (EELS) for uranium, niobium and U3Nb in which uranium is substituted by niobium. Comparing the electronic structures and optical properties for uranium, niobium and U3Nb, we found that when niobium atom replaces uranium atom in the center lattice, density of state (DOS) of U3Nb shifts downward to low energy. Niobium affects DOS for f and d electrons more than that for p and s electrons. U3Nb is similar to uranium for the electronic energy loss spectra.

Key words: Uranium, Niobium, Electron energy loss spectroscopy, Electronic structure, Local density approximation