New developments in NEXAFS/EXAFS theory

被引：56

作者：

Rehr, JJ ^{[1
]}

Ankudinov, A ^{[1
]}

Zabinsky, SI ^{[1
]}

机构：

[1] Univ Washington, Dept Phys, Seattle, WA 98195 USA

来源：

CATALYSIS TODAY | 1998年 / 39卷 / 04期

关键词：

EXAFS; NEXAFS; multiple-scattering; FEFF;

D O I：

10.1016/S0920-5861(97)00109-0

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Recent advances in the theory of X-ray absorption fine structure (XAFS) are reviewed. Modern ab initio multiple-scattering (MS) calculations now provide an accurate, unified treatment of XAFS, encompassing both EXAFS (extended-XAFS), NEXAFS (near-edge XAFS) and XANES (X-ray absorption near-edge structure). Combined with multi-path analysis techniques, such calculations now permit accurate structural determinations well beyond the first near-neighbor. These calculations also describe near-edge features such as sigma* shape resonances and white lines. Implications for catalyst research are briefly discussed. (C) 1998 Elsevier Science B.V.

引用

页码：263 / 269

页数：7

共 35 条

[1] CALCULATION OF X-RAY MAGNETIC CIRCULAR-DICHROISM IN GD [J].

ANKUDINOV, A ;

REHR, JJ .

PHYSICAL REVIEW B, 1995, 52 (14) :10214-10220

[2]

ASAKURA K, 1996, XRAY ABSORPTION FINE, P192

[3] Numerical simulation of the platinum L-III edge white line relative to nanometer scale clusters [J].

Bazin, D ;

Sayers, D ;

Rehr, JJ ;

Mottet, C .

JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (27) :5332-5336

[4] THERMAL AND STRUCTURAL DAMPING OF THE MULTIPLE-SCATTERING CONTRIBUTIONS TO THE X-RAY-ABSORPTION COEFFICIENT [J].

BENFATTO, M ;

NATOLI, CR ;

FILIPPONI, A .

PHYSICAL REVIEW B, 1989, 40 (14) :9626-9635

[5]

BENI G, 1976, PHYS REV B, V14, P9514

[6]

CLAUSEN BS, 1996, XRAY ABSORPTION FINE, P235

[7]

CROZIER ED, 1995, PHYSICA B, V208

[8] CALCULATION OF X-RAY ABSORPTION NEAR-EDGE STRUCTURE, XANES [J].

DURHAM, PJ ;

PENDRY, JB ;

HODGES, CH .

COMPUTER PHYSICS COMMUNICATIONS, 1982, 25 (02) :193-205

[9]

FADLEY CS, 1991, ADV SURFACE SCI

[10]

GEORGE G, UNPUB EXAFSPAK

← 1 2 3 4 →