Ab initio-Based Study for Adatom Kinetics on Semipolar GaN(11(2)over-bar2) Surfaces
Ab initio-Based Study for Adatom Kinetics on Semipolar GaN(11(2)over-bar2) Surfaces
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DOI：
10.1143/jjap.48.120218
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发表时间：
2009-12-01
影响因子：
1.5
通讯作者：
Ito, Tomonori
中科院分区：
文献类型：
--
作者：
Akiyama, Toru;Yamashita, Tomoki;Ito, Tomonori
用密度泛函总能量计算方法研究了生长条件下Ga和N原子在半极性GaN(11(2)/Bar2)表面上的吸附动力学。在常规生长条件下，Ga在c(2×2)面上的迁移能垒(1.2 eV)远高于在常规c面(0001)面上的迁移能垒(约0.4 eV)，导致Ga和N原子同时脱附。相反，Ga和N原子都可以在1×1表面上吸附和迁移而不解吸。这些结果表明，无论是低温还是高压(1×1表面稳定)，都需要在(11(2))(Bar2)方向上生长原子平坦的GaN，这与最近的实验结果一致。(C)2009年日本应用物理学会
The kinetics of Ga and N adatoms on semipolar GaN(11 (2) over bar2) surfaces under growth conditions is investigated employing density-functional total-energy calculations. The energy barrier for Ga migration on the c(2x2) surface (1.2eV) is found to be much higher than that on conventional c-plane (0001) surface (similar to 0.4 eV), leading to the desorption of both Ga and N atoms under conventional growth conditions. In contrast, both Ga and N atoms can be adsorbed and migrate without desorption on the 1 x 1 surface. These results imply that either low temperature or high-Ga pressure, in which the 1 x 1 surface is stabilized, is required to grow atomically flat GaN on (11 (2) over bar2) orientation, consistent with recent experimental results. (c) 2009 The Japan Society of Applied Physics