Physics – Condensed Matter
Scientific paper
1995-12-03
Physics
Condensed Matter
10 pages, RevTex 3.0, 24kb. 3 PS figures available on request from alex.bratkovsky@materials.ox.ac.uk The work has been presen
Scientific paper
10.1209/epl/i1996-00373-4
We have performed the first ab-initio calculations of a possible complex non-collinear magnetic structure in aluminium-rich Al-Mn liquids within the real-space tight-binding LMTO method. In our previous work we predicted the existence of large magnetic moments in Al-Mn liquids [A.M. Bratkovsky, A.V. Smirnov, D. N. Manh, and A. Pasturel, \prb {\bf 52}, 3056 (1995)] which has been very recently confirmed experimentally. Our present calculations show that there is a strong tendency for the moments on Mn to have a non-collinear (random) order retaining their large value of about 3~$\mu_B$. The d-electrons on Mn demonstrate a pronounced non-rigid band behaviour which cannot be reproduced within a simple Stoner picture. The origin of the magnetism in these systems is a topological disorder which drives the moments formation and frustrates their directions in the liquid phase.
Bratkovsky Alexander M.
Smirnov Vladimir A.
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