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dc.contributor.authorSchönfeld, B.
dc.contributor.authorSax, C. R.
dc.contributor.authorZemp, J.
dc.contributor.authorEngelke, M.
dc.contributor.authorBoesecke, P.
dc.contributor.authorKresse, Thomas
dc.contributor.authorBoll, T.
dc.contributor.authorAl-Kassab, Tala'at
dc.contributor.authorPeil, O. E.
dc.contributor.authorRuban, A. V.
dc.date.accessioned2019-02-24T08:34:05Z
dc.date.available2019-02-24T08:34:05Z
dc.date.issued2019-01-18
dc.identifier.citationSchönfeld B, Sax CR, Zemp J, Engelke M, Boesecke P, et al. (2019) Local order in Cr-Fe-Co-Ni: Experiment and electronic structure calculations. Physical Review B 99. Available: http://dx.doi.org/10.1103/PhysRevB.99.014206.
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.doi10.1103/PhysRevB.99.014206
dc.identifier.urihttp://hdl.handle.net/10754/631137
dc.description.abstractA quenched-in state of thermal equilibrium (at 723 K) in a single crystal of Cr-Fe-Co-Ni close to equal atomic percent was studied. Atom probe tomography revealed a single-phase state with no signs of long-range order. The presence of short-range order (SRO) was established by diffuse x-ray scattering exploiting the variation in scattering contrast close to the absorption edges of the constituents: At the incoming photon energies of 5969, 7092, and 8313 eV, SRO maxima that result from the linear superposition of the six partial SRO scattering patterns, were always found at X position. Electronic structure calculations showed that this type of maximum stems from the strong Cr-Ni and Cr-Co pair correlations, that are furthermore connected with the largest scattering contrast at 5969 eV. The calculated effective pair interaction parameters revealed an order-disorder transition at approximately 500 K to a L12-type (Fe,Co,Ni)3Cr structure. The calculated magnetic exchange interactions were dominantly of the antiferromagnetic type between Cr and any other alloy component and ferromagnetic between Fe, Co, and Ni. They yielded a Curie temperature (TC) of 120 K, close to experimental findings. Despite the low value of TC, the global magnetic state strongly affects chemical and elastic interactions in this system. In particular, it significantly increases the ordering tendency in the ferromagnetic state compared to the paramagnetic one.
dc.description.sponsorshipThe authors are grateful to E. Fischer for growing the single crystal. They gratefully acknowledge the European Synchrotron Radiation Facility (ESRF) for provision of synchrotron radiation at beamline ID01. B.S. thanks KAUST for providing measuring time for the APT studies. A.V.R. acknowledges the support of the Swedish Research Council (VR project 2015-05538), a European Research Council grant, the VINNEX center Hero-m, financed by the Swedish Governmental Agency for Innovation Systems (VINNOVA), Swedish industry, and the Royal Institute of Technology (KTH). Calculations were done using NSC (Linköping) and PDC (Stockholm) resources provided by the Swedish National Infrastructure for Computing (SNIC). A.V.R. and O.E.P. also acknowledge the financial support under the scope of the COMET program within the K2 Center “Integrated Computational Material, Process and Product Engineering (IC-MPPE)” (Project No 859480). This program is supported by the Austrian Federal Ministries for Transport, Innovation and Technology (BMVIT) and for Digital and Economic Affairs (BMDW), represented by the Austrian research funding association (FFG), and the federal states of Styria, Upper Austria and Tyrol.
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.99.014206
dc.rightsArchived with thanks to Physical Review B
dc.titleLocal order in Cr-Fe-Co-Ni: Experiment and electronic structure calculations
dc.typeArticle
dc.contributor.departmentOffice of the VP
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionLaboratory of Metal Physics and Technology, Department of Materials, ETH Zurich, Zurich, 8093, , Switzerland
dc.contributor.institutionDepartment of Radiation Safety and Security, Paul Scherrer Institute, Villigen PSI, 5232, , Switzerland
dc.contributor.institutionESRF - the European Synchrotron, Grenoble, Cedex 9, 38043, , France
dc.contributor.institutionInstitute for Applied Materials IAM-WK, Karlsruhe Nano Micro Facility, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen, 76344, , Germany
dc.contributor.institutionMaterials Center Leoben Forschung GmbH, Leoben, 8700, , Austria
dc.contributor.institutionDepartment of Materials Science and Engineering, Royal Institute of Technology, Stockholm, 10044, , Sweden
kaust.personKresse, Thomas
kaust.personAl-Kassab, Tala'at
refterms.dateFOA2019-02-24T08:44:00Z


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