Vibrational effect on vacancy concentration in diamond: The
density-functional-theory calculation

Vibrational effect on vacancy concentration in diamond: The density-functional-theory calculation

The vacancy concentration of the C-vacancy in diamond has been calculated using the density functional theory (DFT). Supercells containing up to 512 atomic sites are used to model the vacancy system. We calculate the formation energy, phonon density of states (Ph-DOS), and vacancy concentration. T...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид:	Fatomi, Zohan Syah, Nugraheni, Ari Dwi, Sholihun, Sholihun
Формат:	Other
Хэл сонгох:	English
Хэвлэсэн:	Computational Condensed Matter 2022
Нөхцлүүд:	Condensed Matter Physics
Онлайн хандалт:	https://repository.ugm.ac.id/284324/1/Vibrational%20effect%20on%20vacansy.pdf

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