Journal article
Ordering and Magnetism in Fe-Co: Dense Sequence of Ground-State Structures
Abstract
We discover that Fe-Co alloys develop a series of ordered ground-state structures in addition to the known CsCl-type structure. This new set of structures is found from a combinatorial ground-state search of 1.5 x 10(10) bcc-based structures. The energies of the searched bcc structures are constructed with the cluster expansion method from few first-principles calculations of ordered Fe-Co structures. The set of new ground-state structures is …
Authors
Drautz R; Díaz-Ortiz A; Fähnle M; Dosch H
Journal
Physical Review Letters, Vol. 93, No. 6,
Publisher
American Physical Society (APS)
Publication Date
August 6, 2004
DOI
10.1103/physrevlett.93.067202
ISSN
0031-9007