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Detailed ab initio calculations of the structure and magnetic state of a metallic spin glass
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2008 (English)In: New Journal of Physics, ISSN 1367-2630, E-ISSN 1367-2630, Vol. 10Article in journal (Refereed) Published
Abstract [en]

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
Keyword [en]
neutron-polarization-analysis, density-wave magnetism, short-range, order, cu-mn alloys, 1st-principles theory
Identifiers
URN: urn:nbn:se:kth:diva-17797DOI: 10.1088/1367-2630/10/8/083026ISI: 000258926900002Scopus ID: 2-s2.0-50249142428OAI: oai:DiVA.org:kth-17797DiVA: diva2:335842
Note
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2017-12-12Bibliographically approved

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