Abstract
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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