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arXiv · 0808.2969

Electronic Selection Rules Controlling Dislocation Glide in bcc Metals

Travis E. Jones·Mark E. Eberhart·Dennis P. Clougherty·Chris Woodward
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Abstract

The validity of the structure-property relationships governing the deformation behavior of bcc metals was brought into question with recent {\it ab initio} density functional studies of isolated screw dislocations in Mo and Ta. These existing relationships were semiclassical in nature, having grown from atomistic investigations of the deformation properties of the groups V and VI transition metals. We find that the correct form for these structure-property relationships is fully quantum mechanical, involving the coupling of electronic states with the strain field at the core of long $a/2<111>$ screw dislocations.

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Travis E. Jones, Mark E. Eberhart, Dennis P. Clougherty, Chris Woodward. 2008-08-21. Electronic Selection Rules Controlling Dislocation Glide in bcc Metals. https://doi.org/10.1103/physrevlett.101.085505

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