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The Electronic Structure of Grain Boundaries in NB

Published online by Cambridge University Press:  26 February 2011

Erik C. Sowa ,
A. Gonis  and
X. -G. Zhang
Erik C. Sowa
Affiliation:
Lawrence Livermore National Laboratory, L356, Livermore, CA 94551
A. Gonis
Affiliation:
Lawrence Livermore National Laboratory, L356, Livermore, CA 94551
X. -G. Zhang
Affiliation:
Lawrence Berkeley Laboratory, Berkeley, CA 94720
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Abstract

We present first-principles calculations of the electronic structure of Nb grain boundaries. These are the first such calculations for a bcc metal using the real-space multiple-scattering theory (RSMST). Local densities of states near a Σ5 twist grain boundary are compared to those for bulk Nb.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 209: Symposium K – Defects in Materials , 1990 , 131
Copyright
Copyright © Materials Research Society 1991

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References

REFERENCES

1. Sowa, Erik C., Gonis, A., Zhang, X. -G. and Foiles, S. M., Phys. Rev. B 40, 9993 (1989).Google Scholar
2. Sowa, Erik C., Gonis, A. and Zhang, X.-G., Proc. Mat. Res. Soc. 159, 395 (1989).Google Scholar
3. Zhang, X.-G., Gonis, A. and MacLaren, J. M., Phys. Rev. B. 40, 3694 (1989).Google Scholar
4. Zhang, X.-G. and Gonis, A., Phys. Rev. Lett. 62, 1161 (1989).Google Scholar
5. Moruzzi, V. L., Janak, J. F. and Williams, A. R., Calculated Electronic Properties of Metals (Pergamon Press, New York, NY, 1978).Google Scholar