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| 6H-SiC(0001)衬底结构对GaN膜结构的影响第一原理研究 | |
| 引用本文： | 辛永松,张百新,戴宪起.6H-SiC(0001)衬底结构对GaN膜结构的影响第一原理研究[J].河南师范大学学报(自然科学版),2007,35(2):66-68,72. |
| 作者姓名： | 辛永松 张百新 戴宪起 |
| 作者单位： | 1. 平顶山教育学院,河南,平顶山,467000 2. 濮阳职业技术学院,河南,濮阳,457000 3. 河南师范大学,物理与信息工程学院,河南,新乡,453007 |
| 摘 要： | 用从头计算方法总能理论研究了6H-SiC(0001)(3×3)R30°衬底上生长的GaN薄膜的界面结构特性.计算结果表明:GaN膜为Ga极性的纤锌矿结构;6H-SiC(0001)衬底表面台阶引起的GaN岛合并在薄膜中产生边界堆垛失配(SMBs),而这种SMBs缺陷随着薄膜生长厚度的增加可以消除. |
| 关 键 词： | 台阶 极性 6H-SiC GaN |
| 文章编号： | 1000-2367（2007）02-0066-03 |
| 修稿时间： | 2006-05-17 |
First Principle Study of Structual Properties of GaN Films Grown on 6H-SiC(0001) Reconstruction Substrate |
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| XIN Yong-song,ZHANG Bai-xin,DAI Xian-qi.First Principle Study of Structual Properties of GaN Films Grown on 6H-SiC(0001) Reconstruction Substrate[J].Journal of Henan Normal University(Natural Science),2007,35(2):66-68,72. | |
| Authors: | XIN Yong-song ZHANG Bai-xin DAI Xian-qi |
| Institution: | 1. Pingdingshan Educational Institute, Pingdingshan 467000, China ; 2. Puyang Vocational and Technical College, Puyang 457000, China; 3. College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China |
| Abstract: | Ab initio total energy calculations are performed to determine the interface structure of GaN films grown on the 6H-SiC(0001)(3×3)R30° substrate.The results show that the GaN film is of the wurtzite structure and has the Ga-polarity.It is also shown that stacking mismatch boundaries(SMBs) caused by the coalescence of GaN islands grown on stepped terraces of the 6H-SiC(0001) surface may be removed by stacking faults as the lm grows. |
| Keywords: | stepped terraces polarity 6 H- SiC GaN |
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