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arXiv:cond-mat/0405023

Physics of Debye-Waller Factors

Harry J. Lipkin

Published May 3, 2004• 8 citations
arXivHTMLPDF

Abstract

This note has no new results and is therefore not intended to be submitted to a "research" journal in the foreseeable future, but to be available to the numerous individuals who are interested in this issue. The Debye-Waller factor is the ratio of the coherent scattering or absorption cross section of a photon or electron by particles bound in a complex system to the value for the same process on an analgous free particle. It is often interpreted also as the probability of the coherent process, normalized to unity, with the difference between unity and the Debye Waller factor interpreted as the probability of incoherent processes. The Debye-Waller factor is then interpreted as a measure of decoherence. The breakdown of this description for a test particle which cannot give or lose energy is not generally appreciated. Prime examples are: Bragg scattering, the Mössbauer effect and related phenomena at zero temperature. The physics of the change in the interpretation of the Debye-Waller factor is summarized here in a hopefully pedagogical manner.

DOI
10.48550/arxiv.cond-mat/0405023

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This note has no new results and is therefore not intended to be submitted to a "research" journal in the foreseeable future, but to be available to the numerous individuals who are interested in this issue. The Debye-Waller factor is the ratio of the coherent scattering or absorption cross section of a photon or electron by particles bound in a complex system to the value for the same process on an analgous free particle. It is often interpreted also as the probability of the coherent process, normalized to unity, with the difference between unity and the Debye Waller factor interpreted as the probability of incoherent processes. The Debye-Waller factor is then interpreted as a measure of decoherence. The breakdown of this description for a test particle which cannot give or lose energy is not generally appreciated. Prime examples are: Bragg scattering, the Mössbauer effect and related phenomena at zero temperature. The physics of the change in the interpretation of the Debye-Waller factor is summarized here in a hopefully pedagogical manner.
A number of scattering situations can naively be expected to show essentially classical features, because of a (generalized) Debye-Waller factor causing decoherence and destroying interference and diffraction phenomena. It is shown, however, that such decoherence may be quenched in several ways: A-the momentum transfer to a large system may be separated into subtransfers to individual atoms, each subtransfer being too small to cause a strong Debye-Waller effect; B-(more significantly) the high-frequency vibrations may be ineffective in causing strong decoherence, because the corresponding correlation functions remain non-vanishing for too short a time. When this Debye-Waller factor quenching takes place, coherence is restored and typical quantum wave-like phenomena reappear.
The Debye-Waller factor may be close to one, hence ineffective for decoherence, if it is caused by high-frequency vibrations. This appears as a manifestation of the Zeno effect, where the quantum properties of a system do not deteriorate (or do so very slowly) if the system is subjected to frequently repeated interactions. In the case of atom-surface scattering, the decoherence time is shown to be long for high frequencies, such that the oscillation period is short in comparison to the duration of a collision. For a periodic perturbation the restoration of coherence, in the case where many oscillation periods take place during a prescribed time, is shown.
This note has no new results and is therefore not intended to be submitted to a "research" journal in the foreseeable future, but to be available to the numerous individuals who are interested in this issue. Several of those have approached the author for his opinion, which is summarized here in a hopefully pedagogical manner, for convenience. It is demonstrated, using essentially only energy conservation and elementary quantum mechanics, that true decoherence by a normal environment approaching the zero-temperature limit is impossible for a test particle which can not give or lose energy. Prime examples are: Bragg scattering, the Mössbauer effect and related phenomena at zero temperature, as well as quantum corrections for the transport of conduction electrons in solids. The last example is valid within the scattering formulation for the transport. Similar statements apply also to interference properties in equilibrium.
We develop a new method for the calculation of the atom scattering analog of the Debye-Waller factor. Unlike x-ray and neutron scattering, the properties of an atom scattered by a solid surface cannot be computer by perturbation theory, therefore the simple Debye-Waller theory cannot be applied. Nevertheless the Debye-Waller phenomenon has a close analog: the elastic intensity is depressed due to the uncorrelated part of the thermal motion of the lattice atoms. To compute this effect we develop a time dependent scattering theory in which the quantum properties of the scattered atom are described by propagating coherently an ensemble of wave packets and lattice motion is simulated by a classical Langevin equation. Applications are made to He and Ne scattering from a surface whose lattice dynamics mimics that of Pt(111) but whose corrugation was slightly increased to enrich the diffraction structure.
Abstract The concept of the Quantum Ratio was born out of the efforts to find a simple but universal criterion if the center of mass (CM) of an isolated (microscopic or macroscopic) body behaves quantum mechanically or classically, and under which conditions. It is defined as the ratio between the quantum fluctuation range, which is the spatial extension of the pure-state CM wave function, and the linear size of the body (the space support of the internal, bound-state wave function). The two cases where the ratio is smaller than unity or much larger than unity, roughly correspond to the body’s CM behaving classically or quantum mechanically, respectively. An important notion following from the introduction of quantum ratio is that the elementary particles (thus the electron and the photon) are quantum mechanical. This is so even when the environment-induced decoherence turns them into a mixed state. Decoherence (mixed state) and classical state should not be identified. This simple observation is further elaborated, by analyzing some atomic or molecular processes. It may have far-reaching implications on the way quantum mechanics works, e.g., in biological systems.
Incoherence introduced in two-path experiments by interactions with scatterers in thermal equilibrium is examined with an energy-momentum approach previously used for the M\"ossbauer effect. Oscillations in intensity with variations in the magnetic flux are shown to be insensitive to random phase changes in the individual scattering amplitudes. Inelastic incoherent scattering may be suppressed when there are a large number of scatterers. A small loss of phase coherence negligible in cases of practical interest can occur even via elastic scattering, which does not perturb the environment. The temperature dependence of the loss of interference, analogous to the Debye-Waller factor, may be tested by experiment.