Probing Structural and Magnetic Instabilities and Hysteresis in Heuslers by Density Functional Theory Calculations
| dc.contributor.author | Entel, P. | |
| dc.contributor.author | Gruner, M.E. | |
| dc.contributor.author | Fähler, S. | |
| dc.contributor.author | Acet, M. | |
| dc.contributor.author | Çahır, A. | |
| dc.contributor.author | Arróyave, R. | |
| dc.contributor.author | Sokolovskiy, V.V. | |
| dc.date.accessioned | 2020-11-20T17:17:22Z | |
| dc.date.available | 2020-11-20T17:17:22Z | |
| dc.date.issued | 2018 | |
| dc.identifier.issn | 0370-1972 | |
| dc.identifier.uri | https://doi.org/10.1002/pssb.201700296 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12809/6395 | |
| dc.description.abstract | Martensitic transformations of rapidly quenched and less rapidly cooled Heusler alloys of type Ni–Mn–X with X = Ga, In, and Sn are investigated by ab initio calculatioms. For the rapidly cooled alloys, we obtain the magnetocaloric properties near the magnetocaloric transition. For the less rapidly quenched alloys these magnetocaloric properties start to change considerably, each alloy transforms during temper-annealing into a dual-phase composite alloy. The two phases are identified to be cubic Ni–Mn–X and tetragonal NiMn. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim | en_US |
| dc.description.sponsorship | Ministry of Education and Science of the Russian Federation Sociedade Portuguesa de Pediatria Center for Computational Sciences, University of Kentucky INST 20876/243-1 FUGG, INST 20876/209-1 FUGG Nanjing University of Science and Technology | en_US |
| dc.description.sponsorship | We acknowledge support by the DFG priority program “ferroic cooling”, SPP 1599. The authors gratefuly acknowledge the computing time granted by the Center for Computational Sciences and Simulation (CCSS) at the University of Duisburg-Essen provided as the supercomputer magnitude (DFG grants INST 20876/209-1 FUGG, INST 20876/243-1 FUGG) at the Zentrum für Information und Mediendienste (ZIM). V. Sokolovskiy acknowledges support by Ministry of Education and Science of the Russian Federation in the framework of increase Competitiveness Program of NUST MISIS. | en_US |
| dc.item-language.iso | eng | en_US |
| dc.publisher | Wiley-VCH Verlag | en_US |
| dc.item-rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | density functional theory calculations | en_US |
| dc.subject | Heusler materials | en_US |
| dc.subject | magnetic cluster glasses and strain glasses | en_US |
| dc.subject | magnetocaloric effect | en_US |
| dc.subject | Monte Carlo simulations | en_US |
| dc.subject | segregation | en_US |
| dc.title | Probing Structural and Magnetic Instabilities and Hysteresis in Heuslers by Density Functional Theory Calculations | en_US |
| dc.item-type | article | en_US |
| dc.contributor.department | MÜ | en_US |
| dc.contributor.departmentTemp | Entel, P., Faculty of Physics and Center for Nanointegration, CENIDE, University Duisburg-Essen, Duisburg, 37048, Germany; Gruner, M.E., Faculty of Physics and Center for Nanointegration, CENIDE, University Duisburg-Essen, Duisburg, 37048, Germany; Fähler, S., IFW Dresden, P.O. Box 270116, Dresden, 01171, Germany; Acet, M., Faculty of Physics and Center for Nanointegration, CENIDE, University Duisburg-Essen, Duisburg, 37048, Germany; Çahır, A., Muğla Üniversitesi, Metalurji ve Malzeme Mühendisliği Bölümü, Muğla, 4800, Turkey; Arróyave, R., Department of Materials Science & Engineering, A&M University, College Station, TX 77843, United States; Sahoo, S., Institute of Materials Science, University of ConnecticutCT 06269, United States; Duong, T.C., Department of Materials Science & Engineering, A&M University, College Station, TX 77843, United States; Talapatra, A., Department of Materials Science & Engineering, A&M University, College Station, TX 77843, United States; Sandratskii, L., Max Planck Institue of Microstructure Physics, Weinberg 2, Halle, 06120, Germany; Mankowsky, S., University of Munich, Department of Chemistry, Butenandstr. 5–13, Munich, 81377, Germany; Gottschall, T., Technical University Darmstadt, Institute of Materials Science, Darmstadt, 64287, Germany; Gutfleisch, O., Technical University Darmstadt, Institute of Materials Science, Darmstadt, 64287, Germany; Lázpita, P., BCMaterials and Department of Electricity and Electronics, University of Basque, Basque, Spain; Chernenko, V.A., BCMaterials and Department of Electricity and Electronics, University of Basque, Basque, Spain; Barandiaran, J.M., BCMaterials and Department of Electricity and Electronics, University of Basque, Basque, Spain; Sokolovskiy, V.V., Condensed Matter Physics Department, Chelyabinsk State University, Chelyabinsk, 454021, Russian Federation, National University of Science and Technology “MIS&S”, Moscow, 119049, Russian Federation; Buchelnikov, V.D., Condensed Matter Physics Department, Chelyabinsk State University, Chelyabinsk, 454021, Russian Federation | en_US |
| dc.identifier.doi | 10.1002/pssb.201700296 | |
| dc.identifier.volume | 255 | en_US |
| dc.identifier.issue | 2 | en_US |
| dc.relation.journal | Physica Status Solidi (B) Basic Research | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
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