32735 20210121082859.0 doi 10.1103/PhysRevB.92.104413 sideral 91889 ART-2015-91889 eng Hiley, C.I. Antiferromagnetism at T > 500 K in the layered hexagonal ruthenate SrRu2O6 2015 Access copy available to the general public Unrestricted We report an experimental and computational study of the magnetic and electronic properties of the layered Ru(V) oxide SrRu2O6 (hexagonal, P ¯31m), which shows antiferromagnetic order with a N´eel temperature of 563(2) K, among the highest for 4d oxides. Magnetic order occurs both within edge-shared octahedral sheets and between layers and is accompanied by anisotropic thermal expansivity that implies strong magnetoelastic coupling of Ru(V) centers. Electrical transport measurements using focused-ion-beam–induced deposited contacts on a micron-scale crystallite as a function of temperature show p-type semiconductivity. The calculated electronic structure using hybrid density functional theory successfully accounts for the experimentally observed magnetic and electronic structure, and Monte Carlo simulations reveal how strong intralayer as well as weaker interlayer interactions are a defining feature of the high-temperature magnetic order in the material. info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 3.718 2015 PHYSICS, CONDENSED MATTER 16 / 67 = 0.239 2015 Q1 T1 2.377 2015 Electronic, Optical and Magnetic Materials 2015 Q1 Condensed Matter Physics 2015 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Scanlon, D.O. Sokol, A.A. Woodley, S.M. Ganose, A.M. (orcid)0000-0002-4123-487X Sangiao, Soraya Universidad de Zaragoza (orcid)0000-0001-9566-0738 De Teresa, J.M. Universidad de Zaragoza Manuel, P. Khalyavin, D.D. Walker, M Lees, M.R. Walton, R.I. 2003 395 Universidad de Zaragoza Dpto. Física Materia Condensa. Área Física Materia Condensada 92, 10 (2015), 104413 [7 pp] Phys. Rev. B, Condens. matter mater. phys. Physical Review B 1098-0121 1618885 http://zaguan.unizar.es/record/32735/files/texto_completo.pdf Versión publicada 135480 http://zaguan.unizar.es/record/32735/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:32735 articulos driver 2021-01-21-08:15:10 ARTICLE