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

被引：85

作者：

Chernozatonskii, Leonid A. ^{[1
]}

Sorokin, Pavel B. ^{[1
,2
,3
,4
]}

Kuzubov, Alexander A. ^{[2
]}

Sorokin, Boris P. ^{[5
]}

Kvashnin, Alexander G. ^{[2
,5
]}

Kvashnin, Dmitry G. ^{[2
]}

Avramov, Pavel V. ^{[2
,6
,7
]}

Yakobson, Boris I. ^{[3
,4
]}

机构：

[1] Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia

[2] Siberian Fed Univ, Krasnoyarsk 660041, Russia

[3] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA

[4] Rice Univ, Dept Chem, Houston, TX 77251 USA

[5] Technol Inst Superhard & Novel Carbon Mat, Troitsk 142190, Moscow Region, Russia

[6] Russian Acad Sci, Kirensky Inst Phys, Krasnoyarsk 660036, Russia

[7] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2011年 / 115卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

REVERSIBLE HYDROGENATION; GRAPHENE; GRAPHANE;

D O I：

10.1021/jp1080687

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：132 / 136

页数：5

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