Crystal growth and structure of a high temperature polymorph of Sr2TiO4 with tetrahedral Ti-coordination, and transition to the Ruddlesden-Popper tetragonal phase

Single crystals of transition metal oxides forming the Ruddlesden-Popper series are necessary for complete studies of their often exciting physical properties. In the strontium titanate family, crystal growth of all compounds apart from SrTiO3 has been elusive so far. We have successfully grown crystals of the high-temperature polymorph of Sr2TiO4, by using a floating-zone melt growth followed by a rapid cooling procedure. We report the crystal structure of the new modification, which is isostructural to the orthorhombic Sr2VO4 and Sr2CrO4. This structure hosts an uncommon layered sub-lattice of TiO4 tetrahedra and transforms into the tetragonal low-temperature polymorph via a complex reconstructive transition. The transformation mechanism between the two phases was studied and explains the reasons for the unsuccessful growth of tetragonal Sr2TiO4. The orthorhombic Sr2TiO4 is an insulator, with a band gap of 3.9 eV. It has a large (approximate to 40) dielectric constant, but despite its polar structure does not show any signatures of a ferroelectric order.

Automated summary

Single crystals of transition metal oxides are crucial for studying their physical properties. In the strontium titanate family, crystal growth of all compounds except SrTiO3 has been challenging. This study successfully grew crystals of the high-temperature polymorph of Sr2TiO4 and investigated its crystal structure and transformation mechanism, providing insights into the failed growth of the low-temperature phase.