| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10709643 | Journal of Magnetism and Magnetic Materials | 2011 | 5 Pages |
Abstract
⺠In Co2MSn (M = Ti, Zr, and Hf) LSDA and GGA act differently on the orbitals. ⺠LSDA and GGA results about their half-metallic estate differ. GGA are half-metallic. ⺠LSDA miscalculated the occupied and unoccupied Co d orbitals. ⺠The calculated magnetic moment also shows differences between the two functionals. ⺠The Co-Co hybridization is central to explain the half-metallic state in these alloys.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Aarón Aguayo, Gabriel Murrieta,