Adsorption and diffusion of Ga and N adatoms on GaN surfaces: Comparing the effects of Ga coverage and electronic excitation
Adsorption and diffusion of Ga and N adatoms on GaN surfaces: Comparing the effects of Ga coverage and electronic excitation
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DOI：
10.1103/physrevb.72.115307
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发表时间：
2005-09
影响因子：
3.7
通讯作者：
N. Takeuchi;A. Selloni;T. Myers;A. Doolittle
中科院分区：
文献类型：
--
作者：
N. Takeuchi;A. Selloni;T. Myers;A. Doolittle
我们提出了不同条件下Ga和N原子在GaN（0001）和GaN（000-1）表面上的结合和扩散的密度泛函数理论计算，包括化学计量和富Ga表面，以及由光束或电子束照射诱导的电子-空穴（e-h）对的存在。我们发现富ga条件和电子激发都会导致吸附原子扩散障碍的显著降低，这是提高材料质量所必需的。然而，这两种效应是不可加性的，因为发现e-h对的影响在金属较多的情况下不太重要。
We present density-functional-theory calculations of the binding and diffusion of Ga and N adatoms on GaN (0001) and (000-1) surfaces under different conditions, including stoichiometric and Ga-rich surfaces, as well as in the presence of electron-hole (e-h) pairs induced by light- or electron-beam irradiation. We find that both Ga-rich conditions and electronic excitations cause a significant reduction of the adatom diffusion barriers, as required to improve the quality of the material. However, the two effects are nonadditive, as the influence of e-h pairs are found to be less important for the more metallic situations.