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Pb2MnTeO6 Double Perovskite [electronic resource] : An Antipolar Anti-ferromagnet

Published
Washington, D.C. : United States. Dept. of Energy. Office of Basic Energy Sciences, 2016.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
pages 4,320-4,329 : digital, PDF file
Additional Creators
Brookhaven National Laboratory, United States. Department of Energy. Office of Basic Energy Sciences, National Science Foundation (U.S.), United States. Army Research Office, United States. Office of Naval Research, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
Pb2MnTeO6, a new double perovskite, has been 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 ~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 ≈ 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 ~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.
Report Numbers
E 1.99:bnl--113214-2016-ja
bnl--113214-2016-ja
Subject(s)
Note
Published through SciTech Connect.
04/08/2016.
"bnl--113214-2016-ja"
Inorganic Chemistry 55 9 ISSN 0020-1669 AM
Maria Retuerto; Stella Skiadopoulou; Man-Rong Li; Artem M. Abakumov; Mark. Croft; Alexander Ignatov; Tapati Sarkar; Brian M. Abbett; Jan Pokorný; Maxim Savinov; Dmitry Nuzhnyy; Jan Prokleška; Milinda Abeykoon; Peter W. Stephens; Jason P. Hodges; Přemysl Vaněk; Craig J. Fennie; Karin M. Rabe; Stanislav Kamba; Martha Greenblatt.
Russian Science Foundation
Funding Information
SC00112704
DMR-0966829
ARO-DOD-VV911NF-12-1-0172
N00014-12-1-1040
AC05-00OR22725
AC02-98CH10886
W911NF-10-1-0345
View MARC record | catkey: 23757983