Detailed ab initio calculations of the structure and magnetic state of a metallic spin glass
2008 (English)In: New Journal of Physics, ISSN 1367-2630, Vol. 10Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2008. Vol. 10
neutron-polarization-analysis, density-wave magnetism, short-range, order, cu-mn alloys, 1st-principles theory
IdentifiersURN: urn:nbn:se:kth:diva-17797DOI: 10.1088/1367-2630/10/8/083026ISI: 000258926900002ScopusID: 2-s2.0-50249142428OAI: oai:DiVA.org:kth-17797DiVA: diva2:335842
QC 201005252010-08-052010-08-05Bibliographically approved