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Electronic Structure of Rare-Earth Pnictides for Metallization of Semiconductors

Published online by Cambridge University Press:  25 February 2011

A. G. Petukhov ,
W. R. L. Lambrecht  and
B. Segall
A. G. 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

The results of first-principles calculations of the electronic band structures, equilibrium lattice constants, cohesive energies, bulk moduli, and magnetic moments are presented for the rare-earth pnictides with the rocksalt structure and chemical formula RX, where R = Gd, Er and X = N, P, As. Some of these materials are semimetals and are suitable for metallization of III-V semiconductors. The results for the lattice constants are in good agreement with experimental data. For ErAs, which is closely lattice-matched to GaAs, the calculated magnetic exchange splittings, electron and hole concentrations, Fermi surface cross-sectional areas and cyclotron masses are found to be in satisfactory agreement with the available experimental data.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 337: Symposium B – Advanced Metallization for Devices and Circuits—Science, Technology and Manufacturing III , 1994 , 583
Copyright
Copyright © Materials Research Society 1995

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References

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