Ground states of a ternary fcc lattice model with nearest- and next-nearest-neighbor interactions
- 1 January 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 49 (1) , 1-7
- https://doi.org/10.1103/physrevb.49.1
Abstract
The possible ground states of a ternary fcc lattice model with nearest- and next-nearest-neighbor pair interactions are investigated by constructing an eight-dimensional configuration polytope and enumerating its vertices. Although a structure could not be constructed for most of the vertices, 31 ternary ground states are found, some of which correspond to structures that have been observed experimentally.Keywords
This publication has 23 references indexed in Scilit:
- Theoretical study of phase stability in Ni-Al and Ni-Ti alloysJournal of Phase Equilibria and Diffusion, 1992
- First-principles phase-stability study of fcc alloys in the Ti-Al systemPhysical Review B, 1992
- Ground state structures in ordered b.c.c. ternary alloys with second-neighbor interactionsActa Metallurgica et Materialia, 1992
- First-principles study of phase stability in Cu-Zn substitutional alloysPhysical Review Letters, 1991
- First-principles calculation of the Ag-Cu phase diagramPhysical Review B, 1991
- Ab initio study of the CuPd one-dimensional long period superstructure phase diagramActa Metallurgica et Materialia, 1990
- Phase diagram and low-temperature behavior of oxygen ordering in using ab initio interactionsPhysical Review B, 1990
- First-principles calculation of alloy phase diagrams: The renormalized-interaction approachPhysical Review B, 1989
- Tight-binding calculation of Ti-Rh–type phase diagramPhysical Review Letters, 1988
- Ground state structures in ordered binary alloys with second neighbor interactionsActa Metallurgica, 1972