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Electronic Structure of Wide-Band-Gap Chalcopyrites

Published online by Cambridge University Press:  25 February 2011

A. Petukhov ,
W. R. L. Lambrecht  and
B. Segall
A. Petukhov
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
W. R. L. 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

Electronic band structures, equilibrium lattice constants and structural parameters, cohesive energies, and bulk moduli calculated by means of the linear-muffin-tin orbital method are presented for BeSiN2, MgSiN2 and MgSiP2 chalcopyrites. The relationships of these compounds to the “parent” III-V compounds are clarified.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 281: Symposium D – Semiconductor Heterostructures for Photonic and Electronic Applications , 1992 , 781
Copyright
Copyright © Materials Research Society 1993

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References

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