Band alignment and optical absorption in  Ga(Sb)N alloys.
We extend the theory of band alignment proposed by Harrison to ternary and quaternary heteropolar semiconductors. Combining this with first-principles density functional theory incorporating the LDA/GGA+U formalism (LDA: local density approximation; GGA: generalized gradient approximation) can result in useful electronic structure predictions for new alloys. The practicality of this is demonstrated by application to the Ga(Sbx)N1-x alloys, where the feasibility of water splitting reaction under visible light irradiation is discussed.
Antonis N
AN
Andriotis
R Michael
RM
Sheetz
Ernst
E
Richter
Madhu
M
Menon