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Correlations of atomic motions and the radial distribution function for simple solids in the harmonic approximation

Корреляции атомных движений и функция раднального распределения для простых твердых тел в гармоническом приближении

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Il Nuovo Cimento B (1971-1996)

Summary

An approximate method of calculating average square amplitudes and products of co-ordinates of atoms in monoatomic lattices is developed and applied to derive an expression for the radial distribution function.

Riassunto

Si sviluppa un metodo approssimato per determinare le medie dei quadrati delle ampiezze di oscillazione e dei prodotti fra coordinate di atomi diversi, e lo si applica per dedurre un'espressione per la funzione di distribuzione radiale, la quale nei solidi non è un dato direttamente ricavabile dall'esperienza.

Резюме

Развивается приближенный метод для вычисления среднеквадратичных амплитуд осцилляций и произведений координат между различными атомами б одноатомных решетках. Предложенный метод применяется для вывода выражения для функции радиального распределения.

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References

  1. Such can be founde.g. in the book byA. A. Maradudin et al.: Theory of Lattice Dynamics in the Harmonic Approximation (New York, N. Y., and London, 1971).

  2. Formula (6.3) derived here is nothing else than the classical limit of a well-known formula whose story goes far back in time. See for instance the formula itself and the references from which its evolution can be traced inJ. F. Vetelino, S. P. Gaur andS. S. Mitra:Phys. Rev. B,5, 2360 (1972).

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  3. Formulae similar to those given in this Section can be found also inJ. B. Pendry:Low Energy Electron Diffraction, Sect. VIB (London and New York, N. Y., 1974).

  4. S. Franchetti:Nuovo Cimento,55 B, 335, (1968).

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Franchetti, S. Correlations of atomic motions and the radial distribution function for simple solids in the harmonic approximation. Nuov Cim B 26, 493–506 (1975). https://doi.org/10.1007/BF02738573

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  • DOI: https://doi.org/10.1007/BF02738573

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