Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness

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• 作者：Leonid A. Chernozatonskii ; Pavel B. Sorokin ; Alexander A. Kuzubov ; Boris P. Sorokin ; Alexander G. Kvashnin ; Dmitry G. Kvashnin ; Pavel V. Avramov ; Boris I. Yakobson
• 刊名：Journal of Physical Chemistry C
• 出版年：2011
• 出版时间：January 13, 2011
• 年：2011
• 卷：115
• 期：1
• 页码：132-136
• 全文大小：251K
• 年卷期：v.115,no.1(January 13, 2011)
• ISSN：1932-7455

文摘

The atomic structure and physical properties of few-layered 111 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 111 layers. All theoretical results were compared with available experimental data.