硅量子点表面钝化的发光研究  

Research on Surface Passivation of Silicon Quantum Dot

作　　者：陈汉琼[1] 黄伟其[1] 

机构地区：[1]贵州大学纳米光子物理研究所 光电子技术与应用省重点实验室,贵阳550025

出　　处：《贵州科学》2012年第4期6-8,共3页Guizhou Science

基　　金：国家自然科学基金(批准号:60966002)资助

摘　　要：通过第一性原理模拟计算发现,对硅量子点表面的钝化条件不同,引入的局域态也不同。我们分别用Si=O和Si-O-Si键对量子点表面进行钝化,在带隙中引入了局域态;而分别用Si-H和Si-OH键对量子点表面进行钝化,在带隙中没有引入任何局域态。结合硅量子点的制备实验和发光的检测,可以解释硅量子点在不同条件下的发光机理。According to the first-principle simulation calculation, we found that the introduction of the localized state will be different when surface passivation of silicon quantum dot is different. When the silicon quantum dot is passivated by Si = 0 bond and Si-O-Si bond, we can see the localized state in band gap. When the silicon quan- tum dot is passivated by Si-H bond and Si-OH bond, there will not be any localized state in band gap. Combined with the processing of silicon quantum dot experiment and emission test, we can explain the emission mechanism of silicon quantum dot in different conditions.

关 键 词：第一性原理计算 硅量子点 局域态 

分 类 号：O613.72[理学—无机化学]