title: Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.
abstract: Single crystals of the multiferroic double-perovskite Pb2MnWO6 have been synthesized and their structural, thermal, magnetic and dielectric properties studied in detail. Pure perovskite-phase formation and stoichiometric chemical composition of the as-grown crystals are confirmed by X-ray single-crystal and powder diffraction techniques as well as energy-dispersive X-ray and inductively coupled plasma mass spectrometry. Detailed structural analyses reveal that the crystals experience a structural phase transition from the cubic space group (s.g.) Fm3̅m to an orthorhombic structure in s.g. Pn21a at about 460 K. Dielectric data suggest that a ferrielectric phase transition takes place at that same temperature, in contrast to earlier results on polycrystalline samples, which reported a transition to s.g. Pnma and an antiferroelectric low-temperature phase. Magnetic susceptibility measurements indicate that a frustrated antiferromagnetic phase emerges below 8 K. Density functional theory based calculations confirm that the cationic order between Mn and W is favorable. The lowest total energy was found for an antiferromagnetically ordered state. However, analyses of the calculated exchange parameters revealed strongly competing antiferromagnetic interactions. The large distance between the magnetic atoms, together with magnetic frustration, is shown to be the main reason for the low value of the ordering temperature observed experimentally. We discuss the structure-property relationships in Pb2MnWO6 and compare these observations to reported results on related Pb2BWO6 perovskites with different B cations.
authors.affiliation: Center of Materials Science, Karpov Institute of Physical Chemistry , Vorontsovo pole 10, 105064 Moscow, K-64, Russia.|Department of Engineering Sciences, Uppsala University , Box 534, SE-751 21 Uppsala, Sweden.
authors.forename: Sergey A
authors.initials: SA
authors.lastname: Ivanov
authors.affiliation: Moscow State Institution of Radio Engineering, Electronics and Automation , RU-119434 Moscow, Russia.
authors.forename: Alexander A
authors.initials: AA
authors.lastname: Bush
authors.affiliation: Center of Materials Science, Karpov Institute of Physical Chemistry , Vorontsovo pole 10, 105064 Moscow, K-64, Russia.
authors.forename: Adam I
authors.initials: AI
authors.lastname: Stash
authors.affiliation: Moscow State Institution of Radio Engineering, Electronics and Automation , RU-119434 Moscow, Russia.
authors.forename: Konstantin E
authors.initials: KE
authors.lastname: Kamentsev
authors.affiliation: Moscow State Institution of Radio Engineering, Electronics and Automation , RU-119434 Moscow, Russia.
authors.forename: Valerii Ya
authors.initials: VY
authors.lastname: Shkuratov
authors.affiliation: Department of Physics and Astronomy, Uppsala University , Box 516, SE-751 20 Uppsala, Sweden.
authors.forename: Yaroslav O
authors.initials: YO
authors.lastname: Kvashnin
authors.affiliation: Department of Physics and Astronomy, Uppsala University , Box 516, SE-751 20 Uppsala, Sweden.
authors.forename: Carmine
authors.initials: C
authors.lastname: Autieri
authors.affiliation: Department of Physics and Astronomy, Uppsala University , Box 516, SE-751 20 Uppsala, Sweden.
authors.forename: Igor
authors.initials: I
authors.lastname: Di Marco
authors.affiliation: Department of Physics and Astronomy, Uppsala University , Box 516, SE-751 20 Uppsala, Sweden.
authors.forename: Biplab
authors.initials: B
authors.lastname: Sanyal
authors.affiliation: Department of Physics and Astronomy, Uppsala University , Box 516, SE-751 20 Uppsala, Sweden.
authors.forename: Olle
authors.initials: O
authors.lastname: Eriksson
authors.affiliation: Department of Engineering Sciences, Uppsala University , Box 534, SE-751 21 Uppsala, Sweden.
authors.forename: Per
authors.initials: P
authors.lastname: Nordblad
authors.affiliation: Department of Engineering Sciences, Uppsala University , Box 534, SE-751 21 Uppsala, Sweden.
authors.forename: Roland
authors.initials: R
authors.lastname: Mathieu