Геометрические и электрические свойства зигзагообразных нанотрубок HgSe, зависящие от диаметра: исследование функционала плотности
https://doi.org/10.17586/2220-8054-2024-15-4-473-480
Аннотация
Используя теорию функционала плотности, систематически исследуется эволюция геометрических и электрических свойств, таких как ширина стенки, энергия связи, энергия деформации, зонная структура, плотность состояний и т. д. нескольких зигзагообразных нанотрубок HgSe с диаметрами в диапазоне от 11,59 Å до 21,74 Å. Отмечено, что стенки нанотрубок постепенно становятся тоньше с увеличением диаметра трубки. Это исследование показывает, что стабильность зигзагообразной нанотрубки HgSe увеличивается с увеличением диаметра. Также считается, что зигзагообразные нанотрубки HgSe подчиняются классическому закону упругости. Анализ зонной структуры показывает, что все зигзагообразные нанотрубки HgSe являются полупроводниками с прямой запрещенной зоной, и их запрещенные зоны медленно уменьшаются с увеличением диаметра.
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Рецензия
Для цитирования:
Дас М. Геометрические и электрические свойства зигзагообразных нанотрубок HgSe, зависящие от диаметра: исследование функционала плотности. Наносистемы: физика, химия, математика. 2024;15(4):473-480. https://doi.org/10.17586/2220-8054-2024-15-4-473-480
For citation:
Das M. Diameter dependent geometrical and electrical properties of zigzag HgSe nanotubes: A density functional study. Nanosystems: Physics, Chemistry, Mathematics. 2024;15(4):473-480. https://doi.org/10.17586/2220-8054-2024-15-4-473-480