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High-Pressure Synthesis, Crystal Structures and Physical Properties of A-Site Columnar-Ordered Quadruple Perovskites

Liu, Ran 北海道大学

2021.12.24

概要

Perovskite material is very popular in inorganic and solid-state chemistry areas for decades. Depending on the correlated phenomena involving spin, charge, and orbital degrees of freedom of unpaired electrons, the crystal structure, physical and chemical properties -thermoelectric, electrochemical, catalytic, and multiferroic- are complex but attractive. The general chem- ical formula of perovskite is ABO3, such as CaTiO3, while more complicated compositions like A’A3B4O12 and A2A’A”B4O12 are also reported for many perovskites. This study has used rare earth, transition metal, and alkaline metal oxides to create new perovskite-based materials. The crystal structures, magnetic properties, and physical properties have been investigated.

Chapter 1 introduces the general background including the structure, magnetism, and appli- cation.

Chapter 2 presents the outline of experimental techniques used in this study.

Chapter 3 introduces the perovskite Y2MnGa(Mn4−xGax)O12 synthesized at high pres- sure and high-temperature conditions. Synchrotron X-ray and neutron powder diffrac- tion were used to study the crystal structures and cation distributions. The solutions adopt the structure type of the A-site columnar-ordered quadruple perovskite family with the space group of P 42/nmc. The x = 0 compound has a cation distribution of [Y3+]A[Mn3+]A′ [Ga3+ Mn2+ ]A′′ [Mn3.68Ga0.32]BO12 with a preferred localization of Ga3+ in 2 0.68 0.32 the tetrahedral A” site and with a small amount of Ga3+ in the octahedral B site. A com-plete triple A-site order,[Y3+]A[Mn3+]A′ [Ga3+]A′′ [Mn3+ Ga3+x]BO12, is realized for x ≧ 1.2 4−x All samples demonstrated spin-glass-like magnetic properties at low temperatures. First- principles calculations indicated the spin-glass-like magnetic ordering is derived from the Ga substitution to the B sites and gave evidence that the ideal cation distribution could produce robust ferromagnetism in this family of perovskites.

Chapter 4 presents R2MnMn(MnTi3)O12 oxides, belonging to a family of A-site columnar- ordered quadruple perovskites. They were synthesized by a high-pressure and high- temperature method for R = Nd, Eu, and Gd at about 6 GPa and 1570 K. At room temper- ature they crystallize in centrosymmetric space group P 42/nmc, and their crystal structures were studied by synchrotron powder X-ray diffraction. They exhibit broad dielectric anoma- lies below room temperature with characteristic frequency-dependent features of the relaxor ferroelectric behavior. P − E loop measurements at 77 K confirmed ferroelectricity for R = Nd and Eu. Magnetic and specific heat measurements showed the presence of long-range ferrimagnetic transitions below 20 K (R = Nd), 30 K (R = Eu), and 42 K (R = Gd). Addi- tional specific heat anomalies were observed below about 5 K for R = Nd and Gd probably due to the involvement of rare-earth cations in long-range orderings. The coexistence of ferrimagnetic transitions and relaxor-like ferroelectric properties make R2MnMn(MnTi3)O12 perovskites multiferroic materials.

Chapter 5 introduces NaRMn2Ti4O12 compounds (R = Sm, Eu, Gd, Dy, Ho, and Y) synthe- sized under high pressure (about 6 GPa) and high temperature (about 1750 K) conditions. The compounds adopt an A-site columnar-ordered quadruple-perovskite structure with the generic chemical formula A2A’A”B4O12. Their crystal structures were studied by powder synchrotron X-ray and neutron diffraction at temperatures between 1.5 and 300 K. Those maintain a paraelectric structure with centrosymmetric space group P 42/nmc at all tem- peratures, in comparison with the related CaMnTi2O6 perovskite, in which a ferroelectric transition occurs at 630 K. The centrosymmetric structure was also confirmed by second- harmonic generation. It has a cation distribution of [Na+R3+]A[Mn2+]A′ [Mn2+]A′′ [Ti4+]BO12 (to match with the generic chemical formula) with statistical distributions of Na+ and R3+ at the large A site and a strongly split position of Mn2+ at the square-planar A’ site. We found a C-type long-range antiferromagnetic structure of Mn2+ ions at the A’ and A” sites below TN = 12 K for R = Dy. All compounds show large dielectric constants of a possible extrinsic origin similar to that of CaCu3Ti4O12. NaRMn2Ti4O12 with R = Er–Lu crystallized in the GdFeO3-type Pnma perovskite structure, and NaRMn2Ti4O12 with R = La, Nd contained two perovskite phases: an AA’3B4O12-type Im3 phase and a GdFeO3-type Pnma phase.

Chapter 6 presents the general conclusion and future prospects based on this study.

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