Detailed ab initio calculations of the structure and magnetic state of a metallic spin glass

Details Detailed ab initio calculations of the structure and magnetic state of a metallic spin glass Detailed ab initio calculations of the structure and magnetic state of a metallic spin glass

Aug 2008

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2008njph...10h3026p&link_type=abstract

New Journal of Physics, Volume 10, Issue 8, pp. 083026 (2008).

Physics

4

Scientific paper

We present for the first time a long-sought atomic and magnetic structure of one of the most well-known and studied spin-glass systems: the Cu83Mn17 alloy, which is the prototype for a large class of metallic spin-glass systems. The structure has been determined from simulations based on atomic and magnetic interactions obtained from first-principles calculations. Being in perfect agreement with recent neutron scattering experiments, our results reveal the atomic and magnetic structure that exhibits a specific short-range order (SRO) and is believed to be responsible for a complicated magnetic cluster dynamics leading to the spin-glass behaviour in this alloy. The ordered phase underlying the atomic SRO is shown to have a Cu3Mn-type structure with 16 atoms per unit cell. The magnetic SRO is associated with incommensurate spin-spiral correlations.

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