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The Electronic Structure of Grain Boundaries in NB
Published online by Cambridge University Press: 26 February 2011
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.
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- Copyright © Materials Research Society 1991