Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2017

Идентификатор DOI: 10.17516/1997-1397-2017-10-4-422-428

Ключевые слова: Density functional theory, Endohedral metallofullerenes, Ferroelectric properties, Y@C82

Аннотация: The structural and electronic properties of single molecule Y@C82, their join couple and crystal structure of Y@C82 were investigated by DFT-GGA approach. The calculations show that Y@C82 form stable crys- tal structures wich may have ferroelectric properties, so they can be applied in electronics as a ferroelectric memory. © Siberian Federal University. All rights reserved.

Журнал: Journal of Siberian Federal University - Mathematics and Physics

Выпуск журнала: Vol. 10, Is. 4

Номера страниц: 422-428

• Kholtobina A.S. (Kirensky Institute of Physics, Akademgorodok, 50/38, Krasnoyarsk, Russian Federation, Siberian Federal University, Svobodny, 79, Krasnoyarsk, Russian Federation)
• Tsyplenkova D.I. (Kirensky Institute of Physics, Akademgorodok, 50/38, Krasnoyarsk, Russian Federation, Siberian Federal University, Svobodny, 79, Krasnoyarsk, Russian Federation)
• Kuzubov A.A. (Kirensky Institute of Physics, Akademgorodok, 50/38, Krasnoyarsk, Russian Federation, Siberian Federal University, Svobodny, 79, Krasnoyarsk, Russian Federation)
• Visotin M.A. (Kirensky Institute of Physics, Akademgorodok, 50/38, Krasnoyarsk, Russian Federation, Siberian Federal University, Svobodny, 79, Krasnoyarsk, Russian Federation)
• Fedorov A.S. (Kirensky Institute of Physics, Akademgorodok, 50/38, Krasnoyarsk, Russian Federation, Siberian Federal University, Svobodny, 79, Krasnoyarsk, Russian Federation)

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