Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2013

Идентификатор DOI: 10.1134/S0036024413080141

Ключевые слова: silicon carbide monolayer, density functional theory, Carbon atoms, Geometrical characteristics, MgO, Monolayer formation, Potential materials, Magnesia, Monolayers, Silicon carbide, Substrates, Two dimensional

Аннотация: The geometrical characteristics of a 2D SiC monolayer on Mg(0001) and MgO(111) plates regarded as potential materials for growing two-dimensional silicon carbide were studied. The most favorable positions of the atoms of 2D SiC on the substrates were determined. In the 2D SiC/Mg(0001) system, unlike in 2D SiC/MgO(111), the deviation of the carbon atom from the silicon carbide monolayer was insignificant (0.08 ). Consequently, magnesium can be used as a substrate for growing two-dimensional silicon carbide. The use of MgO(111) is not recommended because of a significant distortion of the 2D SiC surface.

Журнал: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A

Выпуск журнала: Vol. 87, Is. 8

Номера страниц: 1332-1335

ISSN журнала: 00360244

Место издания: NEW YORK

Издатель: MAIK NAUKA/INTERPERIODICA/SPRINGER

• Kuzubov A.A. (Siberian State University of Technology)
• Eliseeva N.S. (Siberian Federal University)
• Tomilin F.N. (Kirenskii Institute of Physics,Siberian Branch,Russian Academy of Sciences)
• Tolstaya A.V. (Siberian Federal University)
• Krasnov P.O. (Siberian State University of Technology)
• Fedorov A.S. (Kirenskii Institute of Physics,Siberian Branch,Russian Academy of Sciences)

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