Atomic cluster calculation of the X-ray near-edge absorption of copper

被引:4
|
作者
Witte, C. [1 ]
Chantler, C. T. [1 ]
Cosgriff, E. C. [1 ]
Tran, C. Q. [1 ]
机构
[1] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia
关键词
XAFS; XANES; copper;
D O I
10.1016/j.radphyschem.2005.07.018
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The finite difference method for near-edge structure is used to calculate X-ray absorption near-edge structure (XANES) spectra. We extend the range of calculation for copper above the K-shell threshold and compare the results with recent experimental data in the X-ray absorption fine structure (XAFS) region. Qualitatively the calculation predicts the location of the peaks but fails to accurately describe relative amplitudes. (c) 2006 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1582 / 1585
页数:4
相关论文
共 50 条
  • [21] Interpretation of x-ray magnetic circular dichroism and x-ray absorption near-edge structure in Ni
    Nesvizhskii, AI
    Ankudinov, AL
    Rehr, JJ
    Baberschke, K
    PHYSICAL REVIEW B, 2000, 62 (23): : 15295 - 15298
  • [22] PRECISION RECORDING OF NEAR-EDGE PROFILES OF X-RAY ABSORPTION EDGES - AN IMPROVED X-RAY SPECTROSCOPY
    CHIU, NS
    BAUER, SH
    ANALYTICAL CHEMISTRY, 1988, 60 (15) : 1562 - 1565
  • [23] Near-edge x-ray absorption fine-structure investigation of graphene
    Pacile, D.
    Papagno, M.
    Rodriguez, A. Fraile
    Grioni, M.
    Papagno, L.
    PHYSICAL REVIEW LETTERS, 2008, 101 (06)
  • [24] Near-Edge Soft X-ray Absorption Mass Spectrometry of Protonated Melittin
    Egorov, Dmitrii
    Bari, Sadia
    Boll, Rebecca
    Doerner, Simon
    Deinert, Sascha
    Techert, Simone
    Hoekstra, Ronnie
    Zamudio-Bayer, Vicente
    Lindblad, Rebecka
    Buelow, Christine
    Timm, Martin
    von Issendorff, Bernd
    Lau, J. Tobias
    Schlathoelter, Thomas
    JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2018, 29 (11) : 2138 - 2151
  • [25] Analysis of Cimetidine Crystal Polymorphs by X-ray Absorption Near-Edge Spectroscopy
    Suzuki, Hironori
    Matsushima, Masahito
    Ito, Masataka
    Noguchi, Shuji
    MOLECULAR PHARMACEUTICS, 2022, : 1213 - 1221
  • [26] MANY-BODY ASPECTS OF THE NEAR-EDGE STRUCTURE IN X-RAY ABSORPTION
    STERN, EA
    REHR, JJ
    PHYSICAL REVIEW B, 1983, 27 (06): : 3351 - 3357
  • [27] An energy and intensity monitor for X-ray absorption near-edge structure measurements
    de Jonge, Martin D.
    Paterson, David
    McNulty, Ian
    Rau, Christoph
    Brandes, Jay A.
    Ingall, Ellery
    NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 2010, 619 (1-3): : 154 - 156
  • [28] MULTI-ATOM CORRELATIONS IN X-RAY ABSORPTION NEAR-EDGE STRUCTURE
    VVEDENSKY, DD
    PENDRY, JB
    SURFACE SCIENCE, 1985, 162 (1-3) : 903 - 908
  • [29] NEAR-EDGE X-RAY ABSORPTION-SPECTRA FOR METALLIC CU AND MN
    GREAVES, GN
    DURHAM, PJ
    DIAKUN, G
    QUINN, P
    NATURE, 1981, 294 (5837) : 139 - 142
  • [30] Effect of lattice excitations on transient near-edge x-ray absorption spectroscopy
    Rothenbach, N.
    Gruner, M. E.
    Ollefs, K.
    Schmitz-Antoniak, C.
    Salamon, S.
    Zhou, P.
    Li, R.
    Mo, M.
    Park, S.
    Shen, X.
    Weathersby, S.
    Yang, J.
    Wang, X. J.
    Sipr, O.
    Ebert, H.
    Sokolowski-Tinten, K.
    Pentcheva, R.
    Bovensiepen, U.
    Eschenlohr, A.
    Wende, H.
    PHYSICAL REVIEW B, 2021, 104 (14)