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论文类型： 期刊论文

发表时间： 2010-01-01

发表刊物： DIAMOND AND RELATED MATERIALS

收录刊物： SCIE、EI

卷号： 19

期号： 1

页面范围： 21-25

ISSN号： 0925-9635

关键字： Nanodiamonds; Young's modulus; Strain; Electronic properties

摘要： 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.