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

Тип публикации: статья из журнала

Год издания: 2011

Идентификатор DOI: 10.1021/jp1080687

Ключевые слова: Atomic structure, Band gaps, Diamond nanocrystals, Elastic properties, Electronic band structure calculation, Energy stability, Experimental data, Hydrogen atoms, Nanometer thickness, Size effects, Theoretical result, Diamond films, Elasticity, Carbon films

Аннотация: The atomic structure and physical properties of few-layered 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 layers. All theoretical results were compared with available experimental data.

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Издание

Журнал: JOURNAL OF PHYSICAL CHEMISTRY C

Выпуск журнала: Vol. 115, Is. 1

Номера страниц: 132-136

ISSN журнала: 19327447

Место издания: WASHINGTON

Издатель: AMER CHEMICAL SOC

Авторы

  • Chernozatonskii L.A. (Emanuel Institute of Biochemical Physics,Russian Academy of Sciences)
  • Sorokin P.B. (Department of Mechanical Engineering and Material Science,Department of Chemistry,Rice University)
  • Kuzubov A.A. (Siberian Federal University)
  • Kvashnin A.G. (Technological Institute of Superhard and NoVel Carbon Materials)
  • Kvashnin D.G. (Siberian Federal University)
  • Avramov P.V. (AdVanced Science Research Center,Japan Atomic Energy Agency)
  • Yakobson B.I. (Department of Mechanical Engineering and Material Science,Department of Chemistry,Rice University)
  • Sorokin B.P. (Technological Institute of Superhard and NoVel Carbon Materials)

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