| 吕云宾,廖树帜*,谢斌,陈佳.GaAs纳米晶体压致相变的尺寸模型[J].南华大学学报(自然科学版),2012,26(2):61~65.[LV Yun-bin1,2,LIAO Shu-zhi2*,XIE Bin2,CHEN Jia2,.The Size Model of Pressure-induced Phase Transition in GaAs Nanocrystals[J].Journal of University of South China(Science and Technology),2012,26(2):61~65.] |
| GaAs纳米晶体压致相变的尺寸模型 |
| The Size Model of Pressure-induced Phase Transition in GaAs Nanocrystals |
| 投稿时间：2012-04-15 |
| DOI： |
| 中文关键词: 砷化镓 纳米晶体 压致相变 尺寸模型 |
| 英文关键词:GaAs Nanocrystals pressure-induced phase transition size-model |
| 基金项目:湖南省科技厅科研基金资助项目(2009FJ3153) |
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| 中文摘要: |
| 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. |
| 英文摘要: |
| Based on the intrinsic relationship between phase transition pressure and cohesive energy,a simple quantitative thermodynamic model is proposed to describe the size-dependence of phase transition pressure in nanocrystals.In terms of this model,the size effect of pressure-induced phase transition in GaAs nanocrystals is investigated.It is revealed that the stability of nanostructures drops leads to phase transition pressure reduces with size decreasing. As the size further decreases,the phase transition pressure decreases sharply and exhibits stronger size effect.The predicted results are consistent with MD simulations for GaAs nanocrystals reasonably. |
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