Effect of electronic entropy on temperature peculiarities of the frequency characteristics of two interacting anharmonic vibrational modes in beta-Zrстатья
Статья опубликована в высокорейтинговом журнале
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 1 апреля 2017 г.
Аннотация:A two-dimensional temperature-dependent effective potential is calculated for the interacting longitudinal and transverse L phonons of beta zirconium in the frozen-phonon model. The effective potentials obtained for different temperatures are used for the numerical solution of a set of stochastic differential equations with a thermostat of the white-noise type. Analysis of the spectral density of transverse vibrations allows one to determine the temperature at which beta-Zr becomes unstable with respect to the longitudinal L vibrations. The obtained temperature value practically coincides with the experimental temperature of the beta ->alpha structural transition in zirconium. The role of electronic entropy in the beta-Zr stability is discussed.