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Pb2MnTeO6 Double Perovskite: An Antipolar Anti-ferromagnet
Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA.;CSIC, Inst Catalisis & Petr Quim, Grp Energia & Quim Sostenibles EQS, C Marie Curie 2,L10, Madrid 28049, Spain..
Acad Sci Czech Republic, Inst Phys, Na Slovance 2, Prague 18221 8, Czech Republic..
Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA..
Univ Antwerp, EMAT, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.;Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia..
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2016 (English)In: Inorganic Chemistry, ISSN 0020-1669, E-ISSN 1520-510X, Vol. 55, no 9, 4320-4329 p.Article in journal (Refereed) PublishedText
Abstract [en]

Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.

Place, publisher, year, edition, pages
2016. Vol. 55, no 9, 4320-4329 p.
National Category
Inorganic Chemistry Engineering and Technology
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URN: urn:nbn:se:uu:diva-298905DOI: 10.1021/acs.inorgchem.6b00054ISI: 000375519700027PubMedID: 27058393OAI: oai:DiVA.org:uu-298905DiVA: diva2:948501
Funder
EU, European Research Council
Available from: 2016-07-12 Created: 2016-07-12 Last updated: 2016-07-12Bibliographically approved

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