THE LOSS OF MAGNETISM OF Ni3Al ALONG TETRAGONAL DEFORMATION PATH
| Authors | |
|---|---|
| Year of publication | 2005 |
| Type | Article in Proceedings |
| Conference | V. pracovní setkání fyzikálních chemiků a elektrochemiků |
| MU Faculty or unit | |
| Citation | |
| Field | Solid matter physics and magnetism |
| Keywords | electronic structure; magnetism; intermetallic compounds |
| Description | The phase boundaries between ferromagnetic and non-magnetic states were determined along the tetragonal deformation path of Ni3Al in L12 structure by means of ab initio electronic structure calculations. The origin of the magnetic behavior was analyzed by Stoner criterion and local environmental analysis. The ferromagnetic ordering occurs if at least 8 atoms of nickel are present in first two coordination spheres and their mutual distance does not exceed 0.054a, where a is the lattice constant of the L12 structure |
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