Electronic Selection Rules Controlling Dislocation Glide in bcc Metals
Abstract
The validity of the structure-property relationships governing the low-temperature deformation behavior of many bcc metals was brought into question with recent ab initio density functional studies of isolated screw dislocations in Mo and Ta. These relationships were semiclassical in nature, having grown from atomistic investigations of the deformation properties of the group 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.
- Publication:
-
Physical Review Letters
- Pub Date:
- August 2008
- DOI:
- 10.1103/PhysRevLett.101.085505
- arXiv:
- arXiv:0808.2969
- Bibcode:
- 2008PhRvL.101h5505J
- Keywords:
-
- 61.72.Lk;
- 71.15.-m;
- Linear defects: dislocations disclinations;
- Methods of electronic structure calculations;
- Condensed Matter - Materials Science
- E-Print:
- 4 pages, 2 figures