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Abstract
Double perovskite oxides of the A2B'B″O6 type with Jahn-Teller active Cu2+ as the B′ constituent have gained considerable research interest in recent years. For fundamental studies, the rare earth element (R) based systems such as R2CuTiO6 form an intriguing research platform as they allow systematic chemical-pressure studies by simply controlling the size of the R constituent. However, for the R2CuTiO6 compounds conventional ambient-pressure high-temperature synthesis yields an orthorhombic (Pnma) double perovskite structure for the largest R constituents (La–Gd) only, while the compounds with the smaller R:s adopt a hexagonal structure. Here we demonstrate a hexagonal-to-perovskite structure conversion for the R = Y compound achieved through a high-pressure (HP) high-temperature treatment at 4 GPa and 1000 °C. Structural details of the thus stabilized new double perovskite phase of Y2CuTiO6 are addressed through a combined DFT simulation and Rietveld refinement study, revealing signs towards the rare layered-type ordering of the B-site (Cu and Ti) cations. Similar to the previously reported R2CuTiO6 perovskite phases with R = La, Pr, and Nd, the R = Y member is found paramagnetic throughout the measured temperature range of 5–300 K. From UV–vis absorption measurements the optical bandgap is estimated to be ca 3.4 eV.
Original language | English |
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Article number | 123646 |
Number of pages | 8 |
Journal | Journal of Solid State Chemistry |
Volume | 317 |
Issue number | Part A |
Early online date | 21 Oct 2022 |
DOIs | |
Publication status | Published - Jan 2023 |
MoE publication type | A1 Journal article-refereed |
Keywords
- Cation ordering
- Chemical pressure
- Double perovskite
- High-pressure conversion
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Dive into the research topics of 'High-pressure stabilisation of R = Y member of R2CuTiO6 double perovskite series'. Together they form a unique fingerprint.Projects
- 1 Finished
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PREIN: Photonics Research and Innovation
Mäkelä, K. (Principal investigator)
01/01/2019 → 31/12/2022
Project: Academy of Finland: Other research funding
Equipment
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Raw Materials Research Infrastructure
Karppinen, M. (Manager)
School of Chemical EngineeringFacility/equipment: Facility