...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physica status solidi, B. Basic research >Structural and electronic characterization of GaN on MgAl2O4 (111) substrates
【24h】

Structural and electronic characterization of GaN on MgAl2O4 (111) substrates

机译：MgAl2O4（111）衬底上GaN的结构和电子表征

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

We report the structural and electronic characterization of GaN on magnesium aluminate (MgAl2O4) (111) substrates using first-principles calculations. Atomic structures and surface energies of eight stoichiometric MgAl2O4 (111) surfaces with different terminations are investigated after surface relaxations. The results of surface energy indicate that the Al (Mg)-termination is relatively more energetically stable than other terminations. The initial stage of growth is studied based on adsorption of the Ga or N atoms on the optimized MgAl2O4 (111) surface. The results of adsorption energy reveal that N atoms are more stable than Ga atoms on the surface. The bonding characteristics of the Ga-O and N-O adsorption bonds are examined by the COHP technique, which confirms the strong bonding interactions between N atom and the surface. The first atomic layer for GaN growth should be a nitrogen layer. It leads to the experimentally-confirmed epitaxial relationships for GaN/MgAl2O4. Additionally, the polarity determination of GaN on MgAl2O4 (111) is also studied based on adsorption of Ga atom on the nitrogen layer covered MgAl2O4 surface. The results indicate that Ga atom preferentially adsorbs at the central site among three N atoms on the surface, which leads to the formation of Ga-polar GaN. (C) 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
机译：我们报告使用第一原理计算在铝酸镁（MgAl2O4）（111）衬底上的GaN的结构和电子表征。表面弛豫后，研究了八个化学计量不同的MgAl2O4（111）表面的原子结构和表面能。表面能的结果表明，Al（Mg）末端比其他末端在能量上相对更稳定。生长的初始阶段是基于Ga或N原子在优化的MgAl2O4（111）表面上的吸附而研究的。吸附能的结果表明，表面上的N原子比Ga原子更稳定。 Ga-O和N-O吸附键的键合特性通过COHP技术进行了检验，证实了N原子与表面之间的强键合相互作用。用于GaN生长的第一原子层应为氮层。这导致了GaN / MgAl2O4的实验证实的外延关系。此外，还基于Ga原子在覆盖MgAl2O4表面的氮层上的吸附，研究了在MgAl2O4（111）上GaN的极性确定。结果表明，Ga原子优先吸附在表面上的三个N原子中的中心部位，从而导致形成Ga极性GaN。 （C）2016 WILEY-VCH Verlag GmbH＆Co.KGaA，魏因海姆

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号