ANALYSIS OF EXTENDED X-RAY-ABSORPTION LINE-STRUCTURE SPECTRA OF TRANSITION-METAL SULFIDES AND SULFUR ON NICKEL SURFACES

被引:3
作者
BINSTED, N
NORMAN, D
THORNTON, G
机构
[1] UNIV MANCHESTER,INTERDISCIPLINARY RES CTR SURFACE SCI,MANCHESTER M13 9PL,LANCS,ENGLAND
[2] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
来源
PHYSICAL REVIEW B | 1995年 / 51卷 / 12期
关键词
D O I
10.1103/PhysRevB.51.7905
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We report a revised analysis of extended x-ray-absorption fine-structure (EXAFS) spectra of the transition metal sulfides MnS, CoS, cubic (millerite) NiS, hexagonal NiS, heazelwoodite Ni3S2, wurtzite ZnS, and GaS recorded at the S K edge. Near-neighbor distances are found to be within 0.02 of those derived from x-ray or neutron-diffraction data. We had previously reported an apparent breakdown of transferability of S-metal phase shifts for CoS and hexagonal NiS [D. R. Warburton et al., Phys. Rev. B 45, 12 043 (1992)] but this anomaly has now been resolved. This EXAFS analysis incorporates four enhancements: an improved procedure for background subtraction, the ability to fit data from crystals with a single scale factor as a multiplier for all distances, better treatment of vibrational effects, and incorporation of exchange and correlation terms according to the Hedin-Lundqvist prescription in the potentials for phase-shift calculation. Use of these procedures for Ni(110)c(2×2)S gives a nearest-neighbor S-Ni distance of 2.230.04. © 1995 The American Physical Society.
引用
收藏
页码:7905 / 7908
页数:4
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