Abstract
We have performed ab initio calculations of the energies of antiphase boundaries as well as complex and superlattice intrinsic stacking faults in nine intermetallic compounds observed in the face-centered-cubic L1(2) and DO22 structures. The calculations were performed by means of a Green's function technique based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations.
| Original language | English |
|---|---|
| Journal | Physical Review B |
| Volume | 50 |
| Issue number | 7 |
| Pages (from-to) | 4848-4858 |
| ISSN | 2469-9950 |
| DOIs | |
| Publication status | Published - 1994 |
Bibliographical note
Copyright (1994) by the American Physical Society.Keywords
- ENERGIES
- SINGLE-CRYSTALS
- INTERFACES
- ANOMALOUS YIELD BEHAVIOR
- STABILITY
- NI3V
- ELEMENTAL METALS
- ALLOYS
- SURFACES
- GREEN-FUNCTION