GaAs纳米晶体压致相变的尺寸模型.pdfVIP

第26卷第2期 南华大学学报(自然科学版) Vol郾26 No郾2 2012年6月 Journal of University of South China(Science and Technology) Jun郾2012 文章编号:1673-0062(2012)02-0061-05 GaAs纳米晶体压致相变的尺寸模型 1,2 2 * 2 2 吕云宾 ,廖树帜 ,谢摇 斌 ,陈摇 佳 (1. 南华大学数理学院,湖南衡阳421001;2. 湖南师范大学教育部低维量子结构与调控重点实验室,湖南 长沙410081) 摘摇 要:基于晶体相变压力和结合能的关系,提出了一种简单的热力学模型计算尺寸 依赖的纳米晶体压致相变压力. 根据该模型研究了GaAs 纳米晶体压致相变的尺寸 效应,结果表明GaAs纳米晶体稳定性的下降导致其相变压力随尺度的减小而降低. 当尺寸进一步减小时,纳米晶体的相变压力随着尺寸减小急剧降低,显示了强烈的尺 寸效应.该模型计算结果与分子动力学模拟结果显示了较好的一致性. 关键词:砷化镓;纳米晶体;压致相变;尺寸模型 中图分类号:O552郾6摇 摇 摇 文献标识码:A The Size Model of Pressure鄄induced Phase Transition in GaAs Nanocrystals 1,2 2* 2 2 LV Yun鄄bin ,LIAO Shu鄄zhi ,XIE Bin ,CHEN Jia , (1. School of Mathematics and Physics,University of South China,Hengyang,Hunan421001,China; 2. Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of Education,Hunan Normal University,Changsha,Hunan410081,China) Abstract:Based on the intrinsic relationship between phase transition pressure and cohe鄄 sive energy,a simple quantitative thermodynamic model is proposed to describe the size鄄 dependence of phase transition pressure in nanocrystals.In terms of this model,the size effect of pressure鄄induced phase transition in GaAs nanocrystals is investigated.It is re鄄 vealed that the stability of nanostructures drops leads to phase transition pressure reduces with size decreasing. Asthe sizefurther decreases,the phase transition pressure decreases sharply andexhibitsstrongersizeeffect.ThepredictedresultsareconsistentwithMDsimu鄄 lationsfor GaAs nanocrystals reasonably. key wo