Reverse Monte Carlo analysis of extended energy-loss fine structure for disordered structures of tetrahedrally coordinated materials: its applicability.
Capabilities of the reverse Monte Carlo method for characterizing the short-range structural correlations of solids were examined in the analysis of extended energy-loss fine structure (EXELFS). Since this method gives a three-dimensional atomic configuration consistent with the experimental EXELFS spectra, one can extract the statistical distributions of bond lengths, coordination numbers and bond angles of atom species of interest, which have been hard to achieve by conventional EXELFS analysis. The method was applied for the determination of amorphous Si structures and the damaged structure of an electron-irradiated SiC crystal. Advantages and disadvantages of the present method over the precise diffraction intensity measurement are discussed.
Muto
Shunsuke
S
Centre for Integrated Research in Science and Engineering, Nagoya University, Chikusa-ku, Nagoya 464-8603, Japan. s-mutoh@nucl.nagoya-u.ac.jp
Tanabe
Tetsuo
T
D002244:Carbon / Q000032:analysis / Q000737:chemistry; D003201:Computers; D004577:Electron Probe Microanalysis; D008433:Mathematics; D008854:Microscopy, Electron / Q000379:methods; D008958:Models, Molecular; D015394:Molecular Structure; D009010:Monte Carlo Method; D017646:Organosilicon Compounds / Q000737:chemistry*; D012825:Silicon / Q000032:analysis / Q000737:chemistry*
D017646:Organosilicon Compounds; D002244:Carbon; D012825:Silicon