Journal
PHYSICAL REVIEW B
Volume 79, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.041306
Keywords
ab initio calculations; adsorbed layers; chemical potential; gallium compounds; III-V semiconductors; indium compounds; passivation; semiconductor growth; surface structure; wetting; wide band gap semiconductors
Funding
- U.S. Army Research Laboratory
- (U.S.) Army Research Office [W911NF-08-C-0003,]
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We present first-principles calculations for m-plane and c-plane In0.25Ga0.75N surfaces. The results elucidate the dependence of indium incorporation on growth conditions. For both surfaces the calculations indicate that In incorporation is energetically favorable provided the surface is wetted by In adlayers rather than passivated by hydrogen and NH2 groups. Growth of an In0.25Ga0.75N alloy therefore requires that the chemical potential of hydrogen be kept low. The results predict that a reduction in the abundance of hydrogen can lead to greater In incorporation on the m plane as well as the c plane.
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