Ab initio-Based Study for Adatom Kinetics on Semipolar GaN(1122) Surfaces

Toru Akiyama; Tomoki Yamashita; Kohji Nakamura; Tomonori Ito

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Ab initio-Based Study for Adatom Kinetics on Semipolar GaN(1122) Surfaces

机译：基于从头算的半极性GaN（1122）表面上的原子动力学研究

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The kinetics of Ga and N adatoms on semipolar GaN(1122) surfaces under growth conditions is investigated employing density-functional total-energy calculations. The energy barrier for Ga migration on the c(2×2) surface (1.2eV) is found to be much higher than that on conventional c-plane (0001) surface (～0.4eV), 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 1×1 surface. These results imply that either low temperature or high-Ga pressure, in which the 1×1 surface is stabilized, is required to grow atomically flat GaN on (1122) orientation, consistent with recent experimental results.

机译：利用密度泛函总能计算研究了生长条件下半极性GaN（1122）表面Ga和N原子的动力学。发现Ga在c（2×2）表面（1.2eV）上迁移的能垒比常规c平面（0001）表面（〜0.4eV）上的能垒高得多，导致Ga和在常规生长条件下的N原子。相反，Ga和N原子都可以被吸附和迁移，而不会在1×1表面上解吸。这些结果表明，与最近的实验结果一致，需要在1×1表面稳定的低温或高Ga压力下在（1122）取向上生长原子平坦的GaN。

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《Japanese journal of applied physics》 |2009年第12期|120218.1-120218.3|共3页
作者
Toru Akiyama; Tomoki Yamashita; Kohji Nakamura; Tomonori Ito;
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Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan;

Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan;

Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan;

Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan;

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Ab initio-Based Study for Adatom Kinetics on Semipolar GaN(1122) Surfaces

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