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Theoretical Study of Group-III-Nitride Alloys

Published online by Cambridge University Press:  10 February 2011

Kwiseon Kim ,
Sukit Limpijumnong ,
Walter RL Lambrecht  and
B. Segall
Kwiseon Kim
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
Sukit Limpijumnong
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
Walter RL Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
B. Segall
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
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Abstract

Band gap bowing, structural relaxations, and energies of formation were calculated for the three pseudobinary nitride zincblende alloy systems Al-Ga, In-Ga and In-Al using the full-potential linearized muffin-tin orbital method. The cluster expansion and Connolly-Williams approaches were used to relate calculated band structures and energies of formation of ordered compounds to the behavior of disordered alloys. Effects of bond length and volume variation on those properties are discussed. An interpolation formula for the gap of the full pseudoternary AlxGayInzN system is proposed and tested by separate calculations. Extension of the results to the wurtzite alloys is discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 449: Symposium N – III-V Nitrides , 1996 , 929
Copyright
Copyright © Materials Research Society 1997

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References

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