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Electronic and Optical Properties of HgI2

Published online by Cambridge University Press:  21 February 2011

Yia-Chung Chang ,
Hock-Kee Sim  and
R. B. James
Yia-Chung Chang
Affiliation:
Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801
Hock-Kee Sim
Affiliation:
Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801 Department of Physics, National University of Singapore, Singapore 0511
R. B. James
Affiliation:
Advanced Material Research Division, Sandia National Laboratories, Livermore, CA 94550
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Abstract

We present theoretical studies of electronic structures, optical responses, and phonon modes of undoped HgI2 in its red tetragonal form. The electronic band structure is studied via an empirical nonlocal pseudopotential model, including the spin-orbit interaction. The electron and hole effective masses, optical matrix elements for interband transitions, and complex dielectric function are computed. Excitonic effects on the absorption coefficient near the fundamental band gap are included within the effectivemass approximation. The resulting absorption spectra and their polarization dependence are compared with experiment with favorable agreement. The phonon modes of HgI2 are studied with a microscopic model and a good fit to the neutron scattering data is obtained.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 302: Symposium F – Semiconductors for Room-Temperature Radiation Detector Applications , 1993 , 121
Copyright
Copyright © Materials Research Society 1993

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References

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