Pressure effects in Debye-Waller factors and in EXAFS

被引：7
|
作者：
Nguyen Van Hung [1 ]
Vu Van Hung [2 ]
Ho Khac Hieu [1 ,3 ]
Frahm, Ronald R. [4 ]
机构：
[1] Univ Sci, VNU Hanoi, Hanoi, Vietnam
[2] Hanoi Natl Univ Educ, Hanoi, Vietnam
[3] Natl Univ Civil Engn, Hanoi, Vietnam
[4] Berg Univ Wuppertal, FB Phys 8, D-42097 Wuppertal, Germany
来源：
PHYSICA B-CONDENSED MATTER | 2011年 / 406卷 / 03期
关键词：
EXAFS; Pressure dependence effects; Debye-Waller factors and cumulants; X-RAY-ABSORPTION; FINE-STRUCTURE;
D O I：
10.1016/j.physb.2010.11.012
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Anharmonic correlated Einstein model (ACEM) and statistical moment method (SMM) have been developed to derive analytical expressions for pressure dependence of the lattice bond length, effective spring constant, correlated Einstein frequency and temperature, Debye-Waller factors (DWF) or second cumulant, first and third cumulants in Extended X-ray Absorption Fine Structure (EXAFS) at a given temperature. Numerical results for pressure-dependent DWF of Kr and Cu agree well with experiment and other theoretical values. Simulated EXAFS of Cu and its Fourier transform magnitude using our calculated pressure-induced change in the 1st shell are found to be in a reasonable agreement with those using X-ray diffraction (XRD) experimental results. (C) 2010 Elsevier B.V. All rights reserved.
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页码：456 / 460
页数：5
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