Quantum Statistical Approach to Debye-Waller Factors in EXAFS,EELS and ARXPS.V.Real Space Approach to One-Dimensional Systems

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In this paper thermal effects in EXAF S due to atomic vi bration are studied by use of' the Feynman's path integral approach. This approach can be applied to strongly anharrnonic systemswhere the cumulant analyses break. It is closely related to the well-known classical approaclawhich is only valid at high temperattrre, though it can Ice applied to the strongly anharmonicsystems. This paper describes the restrlts applied to one-dimensional systenas with quartic an-harmonic potential and double-well potential. In the former case the cunaulant analyses workwell even for rather strong anharmonic potential, whereas in the latter case the tunneling efFectsplay some important role to give rise to a sharp peaks in probability density at low temperattnre,there the classical approximation cannot be applied but the cumtrlant approximation gives thereasonable results. On the other hand the classical approximation gives qtrite good results, btrtthe cumttlant approxirnation gives poor results at high temperature in the latter case.
社団法人日本物理学会の論文
1997-09-15