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

Your Location：

Home >

Browse articles >

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
  
  C
  o
  r
  r
  e
  s
  p
  o
  n
  d
  i
  n
  g
  
  a
  u
  t
  h
  o
  r
  .
  
  E
  -
  m
  a
  i
  l
  
  a
  d
  d
  r
  e
  s
  s
  :
  
  l
  u
  c
  h
  h
  i
  @
  1
  2
  6
  .
  c
  o
  m
- Funds：
- DOI：10.1016/S1001-8042(09)60020-8 CLC： O482.3,TL817⁺.9,TL271⁺.99
- Published：20 December 2008，
  
  Received：10 July 2008，
Scan for full text
Cite this article
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.

Influence on electron energy loss spectroscopy of the niobium-substituted uranium atom: A density functional theory study 1 2 corresp first-author Corresponding author. E-mail address: luchhi@126.com Corresponding author. E-mail address: luchhi@126.com luchhi@126.com 2 3 2 2 National Key Laboratory for Surface Physics and Chemistry, Mianyang 621907, China National Key Laboratory for Surface Physics and Chemistry, Mianyang 621907, China Sichuan Provincial Key Laboratory for Applied Nuclear Technology in Geology, Chengdu University of Technology, Chengdu 610059, China Sichuan Provincial Key Laboratory for Applied Nuclear Technology in Geology, Chengdu University of Technology, Chengdu 610059, China Department of Chemistry, Fuzhou University, Fuzhou 350002, China Department of Chemistry, Fuzhou University, Fuzhou 350002, China 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. Uranium Niobium Electron energy loss spectroscopy Electronic structure Local density approximation References HUO X D , XIE Z S . Nucl Sci Tech . 2004 , 6 ( 3 ): 183 - 187 . Nucl Sci Tech Massalski T B , Murray J L , Bennett L H , et al . Binary alloy phase diagrams . Volume 2 . Materials Park, OH : ASM International ; 1990 . Binary alloy phase diagrams Brown DW , Bourke M A M , Field R D , et al . Mat Sci Eng A . 2006 , 421 : 15 - 21 . Mat Sci Eng A Allen L J , Findlay S D , Lupini A R , et al . Phys Rev Lett . 2003 , 81 : 105503 . Phys Rev Lett Buck E C , Finn P A , Bates J K . Micron . 2004 , 35 : 235 - 243 . Micron Buck E C , Fortner J A . Ultramicroscopy . 1997 , 67 : 69 - 75 . Ultramicroscopy Dudarev S L , Castell M R , Botton G A , et al . Micron . 2000 , 31 : 363 - 372 . Micron Divis M , Olsovec M , Richter M , et al . J Magn Magn Mat . 1995 , 140-144 ( pt 2 ): 1365 - 1366 . J Magn Magn Mat Divis M , Richter M , Eschrig H . Solid State Commun . 1994 , 90 ( 2 ): 99 - 103 . Solid State Commun Divis M , Steinbeck L , Richter M , et al . J Alloy Compd . 2001 , 321 ( 1 ): 10 - 16 . J Alloy Compd Matar S F . J Magn Magn Mat . 1995 , 151 ( 1-2 ): 263 - 272 . J Magn Magn Mat Matar S F , Eyert V . J Magn Magn Mat . 1997 , 166 ( 3 ): 321 - 328 . J Magn Magn Mat Matar S F , Eyert V , Mavromaras A , et al . J Magn Magn Mat . 1997 , 174 ( 3 ): 219 - 235 . J Magn Magn Mat Matar S F , Etourneau J . J Alloy Compd . 1998 , 275-277 : 468 - 471 . J Alloy Compd Matar S F , Siruguri V , Eyert V . J Magn Magn Mat . 2006 , 305 ( 1 ): 264 - 268 . J Magn Magn Mat Matar S F , Siruguri V . J Alloy Compd . 2007 , 436 ( 1-2 ): 34 - 37 . J Alloy Compd 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 . First principles calculation of electric and magnetic properties of UIn3 intermetalic compound Rusz J , Divis M . J Phys-Condens Mat . 2004 , 16 ( 37 ): 6675 - 6684 . J Phys-Condens Mat Rusz J , Divis M . J Magn Magn Mat . 2005 , 290-291 Part 1 : 367 - 370 . J Magn Magn Mat LU Lei . Study of electron energy loss spectroscopy of surface oxidation behavior of uranium-niobium alloy . [D]. Mianyang : China Academy of Engineering Physics , 2003 . Study of electron energy loss spectroscopy of surface oxidation behavior of uranium-niobium alloy Segall M D , Lindan P J D , Probert M J , et al . J Phys-Cond Mat . 2002 , 14 ( 11 ): 2717 - 2743 . J Phys-Cond Mat Ceperley D M , Alder B J . Phys Rev Lett . 1980 , 45 : 566 - 569 . Phys Rev Lett Sun S R , Dong Y H . Solid State Commun . 2006 , 138 : 476 - 479 . Solid State Commun FANG Rongchuan . Optic properties of solid . Hefei : University of Science and Technology of China Press , 2003 . Optic properties of solid 10.1016/S1001-8042(09)60020-8 O482.3,TL817 + .9,TL271 + .99 Supported by the National Key Laboratory Foundation of China (9140C6601010804) and Sichuan Provincial Key Laboratory for Applied Nuclear Technology in Geology Foundation (27-7) . 2008-07-10 2008-12-20 2021-01-19 2008 Nuclear Science and Techniques 06 19

Views

Downloads

CSCD

Alert me when the article has been cited

Submit

Tools

Publicity Resources

Isothermal, kinetic and thermodynamic studies for solid-phase extraction of uranium (VI) via hydrazine-impregnated carbon-based material as efficient adsorbent

Preparation of amidoxime-based PE/PP fibers for extraction of uranium from aqueous solution

Sorption of uranium (VI) from aqueous solutions by DEEA organo-volcanic: Isotherms, kinetics and thermodynamic studies

The AMS measurement of ²³⁶U at CIRCE

Adsorption uranium (VI) onto amidoxime-functionalized ultra-high molecular weight polyethylene fibers from aqueous solution

Related Author

A. Morsy

M.H. Taha

Muhammad Saeed

Amir Waseem

Muhammad Asad Riaz

M. M. Elmaadawy

Xiao Xu

Xiao-Jun Ding

Related Institution

Department of Chemistry, Quaid-i-Azam University

.O. BOX

University of Chinese Academy of Sciences

Shanghai Institute of Applied Physics, Chinese Academy of Sciences

School of Petrochemical Engineering, Changzhou University

⁰