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Indexed by:期刊论文

Date of Publication:2010-01-01

Journal:DIAMOND AND RELATED MATERIALS

Included Journals:SCIE、EI

Volume:19

Issue:1

Page Number:21-25

ISSN No.:0925-9635

Key Words:Nanodiamonds; Young's modulus; Strain; Electronic properties

Abstract:Mechanical and electronic properties Of Ultrathin hydrogenated nanodiamonds (with diameters from 071 nm to 14 nm) under uniaxial compression have been investigated by means of density functional theory calculations. The computed Young's moduli of nanodiamonds are lower than the bulk value and increase with size. which can be fitted to an empirical function of diameter Similar to the bulk diamond, the HOMO-LUMO gaps of nanodiamond reduces under uniaxial strain. implying tunable electronic properties via mechanical deformations. (C) 2009 Elsevier B.V. All rights reserved.