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arXiv 1104.2498cond-mat.mtrl-sciphysics.comp-ph
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化合物半导体中空位复合体的正电子湮没谱研究--以InN为例

Identifying vacancy complexes in compound semiconductors with positron annihilation spectroscopy: a case study of InN

Christian Rauch, Ilja Makkonen, Filip Tuomisto

摘要:

我们提出了一个全面的研究空位和空位杂质复合物InN结合正电子湮没谱和从头计算。用密度泛函理论计算了常见空位型缺陷的正电子密度和湮没特性,讨论了用正电子湮没方法实验检测和区分空位型缺陷的可行性。计算结果进行了比较,正电子寿命和常规以及符合多普勒展宽测量的几个代表性的InN样品。特别是占主导地位的空位型正电子陷阱的识别和他们的特征正电子寿命,多普勒比曲线和线形参数的确定。我们发现,在空位和它们的复合物与N空位或杂质作为有效的正电子陷阱,诱导不同的变化相比,InN晶格的湮没参数。另一方面,中性或带正电荷的N空位和纯N空位复合物不捕获正电子。辐照InN中主要引入的正电子陷阱被确定为孤立的In空位,而在生长InN层中,In空位不是孤立的,而是与一个或多个N空位复合。发现在这些复合物中,每个In空位的N空位数从近表面区域向层-衬底界面增加。

英文摘要:

We present a comprehensive study of vacancy and vacancy-impurity complexes in InN combining positron annihilation spectroscopy and ab-initio calculations. Positron densities and annihilation characteristics of common vacancy-type defects are calculated using density functional theory and the feasibility of their experimental detection and distinction with positron annihilation methods is discussed. The computational results are compared to positron lifetime and conventional as well as coincidence Doppler broadening measurements of several representative InN samples. The particular dominant vacancy-type positron traps are identified and their characteristic positron lifetimes, Doppler ratio curves and lineshape parameters determined. We find that In vacancies and their complexes with N vacancies or impurities act as efficient positron traps, inducing distinct changes in the annihilation parameters compared to the InN lattice. Neutral or positively charged N vacancies and pure N vacancy complexes on the other hand do not trap positrons. The predominantly introduced positron trap in irradiated InN is identified as the isolated In vacancy, while in as-grown InN layers In vacancies do not occur isolated but complexed with one or more N vacancies. The number of N vacancies per In vacancy in these complexes is found to increase from the near surface region towards the layer-substrate interface.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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