Skip to main content

The Electronic Structure of Grain Boundaries in NB

  • Erik C. Sowa (a1), A. Gonis (a1) and X. -G. Zhang (a2)

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.

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

Email your librarian or administrator to recommend adding this journal to your organisation's collection.

MRS Online Proceedings Library (OPL)
  • ISSN: -
  • EISSN: 1946-4274
  • URL: /core/journals/mrs-online-proceedings-library-archive
Please enter your name
Please enter a valid email address
Who would you like to send this to? *


Full text views

Total number of HTML views: 0
Total number of PDF views: 5 *
Loading metrics...

Abstract views

Total abstract views: 56 *
Loading metrics...

* Views captured on Cambridge Core between September 2016 - 17th July 2018. This data will be updated every 24 hours.