Effect of Al Substitution on the Electronic and Magnetic Properties of GdCo5 |
| A. Szajek and W.L. Malinowski Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań, Poland |
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| Received: September 19, 2001; revised version February 7, 2002 |
| Experimental data show that aluminium doped RCo5 systems crystallize in CaCu5-type structure for most of the rare-earth elements (R). Al impurities randomly occupy one of the two possible positions (2c and 3g) and there is a critical concentration of Al, xc=2.0, for RCo5-xAlx when the Co sublattice becomes nonmagnetic. The ab initio self-consistent calculations show strong dependence of magnetic properties of GdCo5-xAlx on concentration of Al and position of the impurities in the unit cell, furthermore to fulfil experimental observation of existence of critical concentration, xc=2.0, the Al impurities should prefer 3g positions otherwise the magnetic moments on Co atoms do not vanish. |
| DOI: 10.12693/APhysPolA.101.525 PACS numbers: 71.20.-b, 71.20.Eh |