| Al和N极性AlN生长特性的第一性原理 |
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| 引用本文： | 庄芹芹,林伟,王元樟,张小英.Al和N极性AlN生长特性的第一性原理[J].鹭江职业大学学报,2013(3):30-34. |
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| 作者姓名： | 庄芹芹 林伟 王元樟 张小英 |
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| 作者单位： | [1]厦门理工学院光电与通信工程学院,福建厦门361024;光电技术福建省高校重点实验室福建厦门361024 [2]厦门大学福建省半导体材料及应用重点实验室,福建厦门361005 |
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| 基金项目： | 福建省教育厅科技计划项目（JA10249;JB12182） |
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| 摘 要： | 使用第一性原理计算方法对Al和N极性AlN表面和生长特性的差异开展了研究.构建未吸附和吸附一个原子或原子层的Al和N极性AlN表面结构进行模拟和理论计算.结果表明：Al极性AlN比N极性AlN更稳定,并且在生长时将具有更高的生长速率;在富N的生长环境下,N极性AlN的生长容易在表面形成双N原子层而出现反型畴;Al和N原子在Al极性表面上更容易扩散,所以外延生长的Al极性面AlN将会具有更加平整的表面形貌.
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| 关 键 词： | 深紫外LED AlN 极性可控生长 第一性原理计算 |
First-Principles Study of the Growth Characteristics of Al-and N-polar AlN |
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| ZHUANG Qin-qinl＇z,LIN Wei,WANG Yuan-zhang,＇,ZHANG Xiao-ying.First-Principles Study of the Growth Characteristics of Al-and N-polar AlN[J].Journal of Lujiang University,2013(3):30-34. |
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| Authors: | ZHUANG Qin-qinl＇z LIN Wei WANG Yuan-zhang ＇ ZHANG Xiao-ying |
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| Institution: | 1＇2 ( 1. School of Optoelectronic ＆ Communication Engineering, Xiamen University of Technology, Xiamen 361024, China; 2. Fujian Universities Key Laboratory of Optoelectronic Technology, Xiamen 361024, China; Key Laboratory of Semiconductor Materials and Applications, Xiamen University, Xiamen, 361005, China) |
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| Abstract: | First-principles simulations were adopted to understand the differences in the growth between A1- and N-polar A1N. The A1- and N-polar A1N surfaces without and with the adsorption of an adatom or an adlayer were simulated and calculated. The results show that Al-polar AIN is more stable, and has a faster growth rate than N-polar one. Under N-rich conditions, bilayers of N atoms are likely to form locally due to the adsorption of N atoms on the N-polar surface, which will lead to polar inverse domains. Since it is easier for both A1 and N atoms to diffuse on the Al-polar surface, the epitaxial Al-polar A1N surface will be smoother. |
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| Keywords: | deep ultraviolet （DUV） LED A1N polar-controlled-growth first-principles calculation |
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