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- W1994403797 abstract "We consider first the application of a linear-coupling small-polaron theory to the motion of light interstitials such as hydrogen isotopes and the positive muon in solids. We carry out a microscopic quantum calculation of the density-density correlation function for a diffusing particle that passes smoothly as a function of temperature between the low-temperature limit of coherent bandlike motion and the high-temperature limit of stochastic hopping. A numerical calculation of the mean time of stay of the particle on a given interstitial site shows a maximum at the transition temperature ${T}^{*}$. For a Debye phonon spectrum $0.3ensuremath{le}frac{{T}^{*}}{ensuremath{Theta}}ensuremath{le}0.7$ for reasonable estimates of the lattice distortion energy and rigid-lattice bandwidth appropriate for positive muons. Higher-order phonon interactions are then introduced and treated within the same formalism. They give rise to a kind of motional narrowing of the coherent portion of the density-density correlation function, that depresses ${T}^{*}$ substantially. Numerical calculations of the mean time of stay for a range of linear- and quadratic-phonon-coupling strengths indicate a substantial depression of the transition temperature between coherent and stochastic diffusion, while the transition to true bandlike motion occurs at a still lower temperature." @default.
- W1994403797 created "2016-06-24" @default.
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- W1994403797 date "1982-12-15" @default.
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- W1994403797 title "Transition between coherent and stochastic motion of light interstitials" @default.
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- W1994403797 doi "https://doi.org/10.1103/physrevb.26.6530" @default.
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