Stability and Indium Incorporation Processes on In0.25Ga0.75N Surfaces under Growth Conditions: First-Principles Calculations
Stability and Indium Incorporation Processes on In0.25Ga0.75N Surfaces under Growth Conditions: First-Principles Calculations
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DOI：
10.1143/jjap.49.030212
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发表时间：
2010-01-01
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
基于第一性原理总能量计算，研究了In_（0.25）Ga_（0.75）N表面不同取向的结构稳定性和In的掺入.计算的表面相图随温度和压力的变化表明，体In浓度为25%的（0001）和（2（2）over bar 01）表面在低温生长条件下是稳定的。相比之下，（1（1）条00）表面形成最顶端的Ga-N二聚体在宽范围的生长条件，和Ga原子优先吸附在（1（1）条00）表面。这些结果意味着In浓度接近25%的InGaN可以在c面和半极性（2（2）over bar 01）取向上生长。(C)2010日本应用物理学会
The structural stability and indium incorporation on In0.25Ga0.75N surfaces for various orientations are studied on the basis of first-principles total-energy calculations. The calculated surface phase diagrams as functions of temperature and pressure demonstrate that the (0001) and (2 (2) over bar 01) surfaces with bulk In concentration of 25% are stabilized for low temperature growth conditions. In contrast, the (1 (1) over bar 00) surface forms topmost Ga-N dimers over the wide range of growth conditions, and Ga atoms are preferentially adsorbed on the (1 (1) over bar 00) surfaces. These results imply that InGaN with In concentrations of similar to 25% can be grown on c-plane and semipolar (2 (2) over bar 01) orientations. (C) 2010 The Japan Society of Applied Physics