Al和N极性AlN生长特性的第一性原理  

First-Principles Study of the Growth Characteristics of Al-and N-polar AlN

作　　者：庄芹芹[1,2] 林伟[3] 王元樟[1,2] 张小英[1,2] 

机构地区：[1]厦门理工学院光电与通信工程学院,福建厦门361024 [2]光电技术福建省高校重点实验室,福建厦门361024 [3]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

出　　处：《厦门理工学院学报》2013年第3期30-34,共5页Journal of Xiamen University of Technology

基　　金：福建省教育厅科技计划项目(JA10249;JB12182)

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.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.

关 键 词：深紫外LED ALN 极性可控生长 第一性原理计算 

分 类 号：TN304[电子电信—物理电子学]