The Study of the Electronic Structure of CrPt3 Alloy by the LMTO Method |
| A. Szajek Institute of Molecular Physics of the Polish Academy of Sciences, Smoluchowskiego 17/19, 60-179 Poznań, Poland |
| Received: October 18, 1991; in final form: August 3, 1992 |
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| The ab initio self-consistent linear muffin-tin orbital calculations in the atomic sphere approximation have been performed for the ordered CrPt3 (AuCu3-type structure) alloy. The band structure and the densities of electronic states are presented. The para- and ferrimagnetic phases were considered. The spin-polarized calculations have confirmed the experimental observation of small antiparallel induced magnetic moment on a platinum atom. |
| DOI: 10.12693/APhysPolA.82.967 PACS numbers: 65.40.-f, 71.10.+x, 74.20.Fg |