Реєстраційний номер
2124U013116, Матеріали видань та локальних репозитаріїв
Категорія
Текст
Назва роботи
Non-Equivalence of Interatomic Interaction in Model Calculations of the Phonon Dispersion
Автор
Кайнц Діана Іванівна
Ivan Nebola
Anton Katanytsia
Ihor Shkirta
Olga Maksakova
Andrii Korneichuk
Kaints Diana Ivanivna
Ivan Nebola
Anton Katanytsia
Ihor Shkirta
Olga Maksakova
Andrii Korneichuk
Дата публікації
01-09-2024
Постачальник інформації
Ужгородський національний університет
Першоджерело
https://dspace.uzhnu.edu.ua/jspui/handle/lib/67022
Видання
Опис
Abstract— Consecutive inclusion of additional physical
parameters (color, phase, sign of charge, spin, etc.) in the
symmetric description led to creation of the theory of color
symmetry and the concept of superspatial symmetry. Being
based on the latter approach, a method for calculating the
phonon dependences of complex crystals was developed in
continuation. Among the varieties of generalized symmetry, the
concept of superspatial symmetry is quite convenient and visual
when constructing (3+d) dimensional models for describing the
crystal structure of complex crystals and systems united by a
single metric and scale of the protocrystal carrier function.
Software was developed and model calculations of phonon
spectra of crystals of BaTiO3 type crystals in equidistant and
non-equidistant approximations for the field of force interaction
were carried out. It is shown that the non-physical 5-fold
degeneracy at the point R of the Brillouin zone in the
calculations in the equidistant approximation of the force field
splits when considering the non-equivalent force interaction.
Додано/оновлено в НРАТ
2026-06-13
