000032735 001__ 32735 000032735 005__ 20210121082859.0 000032735 0247_ $$2doi$$a10.1103/PhysRevB.92.104413 000032735 0248_ $$2sideral$$a91889 000032735 037__ $$aART-2015-91889 000032735 041__ $$aeng 000032735 100__ $$aHiley, C.I. 000032735 245__ $$aAntiferromagnetism at T > 500 K in the layered hexagonal ruthenate SrRu2O6 000032735 260__ $$c2015 000032735 5060_ $$aAccess copy available to the general public$$fUnrestricted 000032735 5203_ $$aWe 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. 000032735 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/ 000032735 590__ $$a3.718$$b2015 000032735 591__ $$aPHYSICS, CONDENSED MATTER$$b16 / 67 = 0.239$$c2015$$dQ1$$eT1 000032735 592__ $$a2.377$$b2015 000032735 593__ $$aElectronic, Optical and Magnetic Materials$$c2015$$dQ1 000032735 593__ $$aCondensed Matter Physics$$c2015$$dQ1 000032735 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion 000032735 700__ $$aScanlon, D.O. 000032735 700__ $$aSokol, A.A. 000032735 700__ $$aWoodley, S.M. 000032735 700__ $$aGanose, A.M. 000032735 700__ $$0(orcid)0000-0002-4123-487X$$aSangiao, Soraya$$uUniversidad de Zaragoza 000032735 700__ $$0(orcid)0000-0001-9566-0738$$aDe Teresa, J.M.$$uUniversidad de Zaragoza 000032735 700__ $$aManuel, P. 000032735 700__ $$aKhalyavin, D.D. 000032735 700__ $$aWalker, M 000032735 700__ $$aLees, M.R. 000032735 700__ $$aWalton, R.I. 000032735 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada 000032735 773__ $$g92, 10 (2015), 104413 [7 pp]$$pPhys. Rev. B, Condens. matter mater. phys.$$tPhysical Review B$$x1098-0121 000032735 8564_ $$s1618885$$uhttps://zaguan.unizar.es/record/32735/files/texto_completo.pdf$$yVersión publicada 000032735 8564_ $$s135480$$uhttps://zaguan.unizar.es/record/32735/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada 000032735 909CO $$ooai:zaguan.unizar.es:32735$$particulos$$pdriver 000032735 951__ $$a2021-01-21-08:15:10 000032735 980__ $$aARTICLE