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

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

LU Chunhai，

NI Shijun，

CHEN Wenkai，

ZHANG Chengjiang，

WANG Yongli

Nuclear Science and Techniques

Vol.19, No.6

pp.365-369

Published in print 20 Dec 2008

DOI：10.1016/S1001-8042(09)60020-8

CLC：O482.3,TL817+.9,TL271+.99

68700

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.

UraniumNiobiumElectron energy loss spectroscopyElectronic structureLocal density approximation

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