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

Chunhai LU; Shijun NI; Wenkai CHEN; Chengjiang ZHANG; Yongli WANG

doi:10.1016/S1001-8042(09)60020-8

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

MISCELLANEOUS | Updated：2021-01-29

- Influence on electron energy loss spectroscopy of the niobium-substituted uranium atom: A density functional theory study
- Nuclear Science and Techniques Vol. 19, Issue 6, (2008)
- Affiliations：
  
  1.National Key Laboratory for Surface Physics and Chemistry, Mianyang 621907, China
  2.Sichuan Provincial Key Laboratory for Applied Nuclear Technology in Geology, Chengdu University of Technology, Chengdu 610059, China
  3.Department of Chemistry, Fuzhou University, Fuzhou 350002, China
- Author bio：
  
  Corresponding author. E-mail address: luchhi@126.com
- Funds：
- DOI：10.1016/S1001-8042(09)60020-8
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Chunhai LU, Shijun NI, Wenkai CHEN, et al. Influence on electron energy loss spectroscopy of the niobium-substituted uranium atom: A density functional theory study. [J]. Nuclear Science and Techniques 19(6):365-369(2008)
DOI：

Chunhai LU, Shijun NI, Wenkai CHEN, et al. Influence on electron energy loss spectroscopy of the niobium-substituted uranium atom: A density functional theory study. [J]. Nuclear Science and Techniques 19(6):365-369(2008) DOI： 10.1016/S1001-8042(09)60020-8.

摘要

Abstract

We present the electronic structure and electron energy loss spectroscopy (EELS) for uranium, niobium and U,3,Nb in which uranium is substituted by niobium. Comparing the electronic structures and optical properties for uranium, niobium and U,3,Nb, we found that when niobium atom replaces uranium atom in the center lattice, density of state (DOS) of U,3,Nb shifts downward to low energy. Niobium affects DOS for ,f, and ,d, electrons more than that for ,p, and ,s, electrons. U,3,Nb is similar to uranium for the electronic energy loss spectra.

关键词

Keywords

UraniumNiobiumElectron energy loss spectroscopyElectronic structureLocal density approximation

references

HUO X D, XIE Z S. Nucl Sci Tech. 2004, 6(3): 183-187.

Massalski T B, Murray J L, Bennett L H, et al. Binary alloy phase diagrams. Volume 2. Materials Park, OH: ASM International; 1990.

Brown DW, Bourke M A M, Field R D, et al. Mat Sci Eng A. 2006, 421: 15-21.

Allen L J, Findlay S D, Lupini A R, et al. Phys Rev Lett. 2003, 81: 105503.

Buck E C, Finn P A, Bates J K. Micron. 2004, 35: 235-243.

Buck E C, Fortner J A. Ultramicroscopy. 1997, 67: 69-75.

Dudarev S L, Castell M R, Botton G A, et al. Micron. 2000, 31: 363-372.

Divis M, Olsovec M, Richter M, et al. J Magn Magn Mat. 1995, 140-144(pt 2): 1365-1366.

Divis M, Richter M, Eschrig H. Solid State Commun. 1994, 90(2): 99-103.

Divis M, Steinbeck L, Richter M, et al. J Alloy Compd. 2001, 321(1): 10-16.

Matar S F. J Magn Magn Mat. 1995, 151(1-2): 263-272.

Matar S F, Eyert V. J Magn Magn Mat. 1997, 166(3): 321-328.

Matar S F, Eyert V, Mavromaras A, et al. J Magn Magn Mat. 1997, 174(3): 219-235.

Matar S F, Etourneau J. J Alloy Compd. 1998, 275-277: 468-471.

Matar S F, Siruguri V, Eyert V. J Magn Magn Mat. 2006, 305(1): 264-268.

Matar S F, Siruguri V. J Alloy Compd. 2007, 436(1-2): 34-37.

Nourbakhsh Z, Pourghazi A. First principles calculation of electric and magnetic properties of UIn3 intermetalic compound. Agadir, Morocco: Wiley-VCH Verlag, Weinheim, Germany, 2006:3292-3296.

Rusz J, Divis M. J Phys-Condens Mat. 2004, 16(37): 6675-6684.

Rusz J, Divis M. J Magn Magn Mat. 2005, 290-291 Part 1: 367-370.

LU Lei. Study of electron energy loss spectroscopy of surface oxidation behavior of uranium-niobium alloy. [D].Mianyang: China Academy of Engineering Physics, 2003.

Segall M D, Lindan P J D, Probert M J, et al. J Phys-Cond Mat. 2002, 14(11): 2717-2743.

Ceperley D M, Alder B J. Phys Rev Lett. 1980, 45: 566-569.

Sun S R, Dong Y H. Solid State Commun. 2006, 138: 476-479.

FANG Rongchuan. Optic properties of solid. Hefei: University of Science and Technology of China Press, 2003.

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