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 deviatioПоказать полностьюn 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