High-pressure stabilisation of R = Y member of R2CuTiO6 double perovskite series

Linda Sederholm, Taneli Tiittanen, Maarit Karppinen*

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)
51 Downloads (Pure)


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 languageEnglish
Article number123646
Number of pages8
JournalJournal of Solid State Chemistry
Issue numberPart A
Early online date21 Oct 2022
Publication statusPublished - Jan 2023
MoE publication typeA1 Journal article-refereed


  • Cation ordering
  • Chemical pressure
  • Double perovskite
  • High-pressure conversion


Dive into the research topics of 'High-pressure stabilisation of R = Y member of R2CuTiO6 double perovskite series'. Together they form a unique fingerprint.

Cite this