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Расчет теплоемкости и среднеквадратичных смещений по фононным спектрам для кристаллов с ОЦК и ГЦК решеткой

Расчет теплоемкости и среднеквадратичных смещений по фононным спектрам для кристаллов с ОЦК и ГЦК решеткой

Abstract

The paper considers the dynamics of monatomic cubic crystal lattices under the influence of the interatomic forces of Van der Waals nature. Using the adiabatic approximation, the authors received and solved a system of equations describing vibrations of monatomic bcc and fcc lattices, realized the long-wave principle, which allowed to express the force constants of the dynamical model in terms of elastic constants of a given substance and to calculate phonon spectra and temperature dependences of heat capacity and mean-square deviations for some crystals with bcc and fcc lattices.

Исследуется динамика моноатомных кубических кристаллических решеток под воздействием межатомных сил, имеющих ван-дер-ваальсовскую природу. В адиабатическом приближении получена и решена система уравнений, описывающая колебания моноатомных ОЦК и ГЦК решеток, реализован принцип длинных волн, что позволило выразить силовые константы динамической модели через упругие константы рассматриваемого вещества и произвести расчеты фононных спектров, температурных зависимостей теплоемкости и среднеквадратичных смещений для некоторых кристаллов с ОЦК и ГЦК решеткой.

Keywords

ДИНАМИЧЕСКАЯ МОДЕЛЬ, ДИПОЛЬ, КРИСТАЛЛИЧЕСКАЯ РЕШЕТКА, УПРУГИЕ КОНСТАНТЫ, ФОНОННЫЙ СПЕКТР, ТЕПЛОЕМКОСТЬ, СРЕДНЕКВАДРАТИЧНОЕ СМЕЩЕНИЕ

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
gold