The influence of size effect on the electronic and elastic properties of diamond films with nanometer thickness
arXiv:1103.6210 · doi:10.1021/jp1080687
Abstract
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 linear 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.
16 pages, 5 figures, 3 tables
References in corpus (8)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- The electronic properties of graphene
- Two Dimensional Atomic Crystals
- Control of graphene's properties by reversible hydrogenation
- Graphane: a two-dimensional hydrocarbon
- Diamond-Like C2H Nanolayer, Diamane: Simulation of the Structure and Properties
- Two-dimensional semiconducting nanostructures based on single graphene sheets with lines of adsorbed hydrogen atoms
- Phonon dispersion in graphene