Class Statistics
What are Perovskite Titanates?
Perovskite titanates represent a cornerstone class of functional oxide ceramics characterized by the general chemical formula ABO3, where the A-site is typically an alkaline earth metal and the B-site is titanium. This structural arrangement, defined by a corner-sharing network of TiO6 octahedra, facilitates a wide array of electronic and dielectric behaviors. The most prominent member, barium titanate (BaTiO3), is celebrated as the foundational ferroelectric material, exhibiting a spontaneous electric polarization that can be reversed by an external field. In contrast, strontium titanate (SrTiO3) acts as a quantum paraelectric, maintaining high permittivity without transitioning into a ferroelectric state at ambient temperatures. The significance of this material family cannot be overstated, particularly in the microelectronics industry. Their high dielectric constants and tunable properties make them indispensable for the fabrication of multilayer ceramic capacitors (MLCCs), which are manufactured in the trillions annually to regulate power and signal integrity in virtually every modern electronic device. Beyond capacitors, perovskite titanates are extensively researched for applications in non-volatile memory, piezoelectric sensors, and electro-optic modulators. Their versatility stems from the ability to substitute ions on both the A and B sites, allowing researchers to precisely engineer band gaps, lattice constants, and phase transition temperatures. As the industry pushes toward further miniaturization, the study of thin-film titanates and their interfacial properties remains a vibrant area of materials science, promising continued innovation in energy storage and high-frequency communication technologies.
Top Perovskite Titanates
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| BaTiO3 | 0.36–2.51 eV | 0.0000 | On hull (stable) | 2 | 55 |
| SrTiO3 | 1.74–1.85 eV | 0.0000 | On hull (stable) | 2 | 36 |
| CaTiO3 | 1.83–3.57 eV | 0.0000 | On hull (stable) | 2 | 10 |
| O3PbTi | 1.58–2.32 eV | 0.0000 | On hull (stable) | 3 | 0 |
| Sr3Ti2O7 | 1.84 eV | 0.0000 | On hull (stable) | 2 | 2 |
| Ba2TiO4 | 1.88–4.36 eV | 0.0000 | On hull (stable) | 2 | 1 |
| CaTiSiO5 | 1.47–2.99 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ca2O6Ti2 | 1.83–3.57 eV | 0.0000 | On hull (stable) | 2 | 0 |
| BaTi4O9 | 2.70 eV | 0.0101 | Near hull (likely stable) | 1 | 2 |
| CaTiO2 | 0.02 eV | 0.1562 | Above hull | 2 | 0 |
| CaO2Ti | 0.02 eV | 0.1562 | Above hull | 1 | 0 |
| Ba2O6Ti2 | 0.36–2.51 eV | 0.0000 | On hull (stable) | 2 | 0 |
| O3Pb1Ti1 | 1.58–2.32 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiPbO3 | 1.58–2.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ba1O3Ti1 | 0.36–2.51 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Sr2Ti6N2O11 | 1.76–2.21 eV | 0.0279 | Metastable | 2 | 0 |
| Ba6O18Ti6 | 0.36–2.51 eV | 0.0000 | On hull (stable) | 2 | 0 |
| BaO3Ti | 0.36–2.51 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ca2Ti6N2O11 | 1.82–2.27 eV | 0.0603 | Metastable | 2 | 0 |
| O12Pb4Ti4 | 1.58–2.32 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ca4O20Si4Ti4 | 1.47–2.99 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Sr2CaTi3O9 | 1.78–2.07 eV | 0.0120 | Near hull (likely stable) | 2 | 0 |
| Sr5ZrTi4O15 | 1.76–1.95 eV | 0.0168 | Near hull (likely stable) | 2 | 0 |
| CaTi2O5 | 2.76–2.91 eV | 0.0030 | Near hull (likely stable) | 2 | 0 |
| Ca2O10Si2Ti2 | 1.47–2.99 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Ca2Ti3O8 | 2.44–2.77 eV | 0.0000 | On hull (stable) | 2 | 0 |
| SrCaTi2O6 | 1.98–2.10 eV | 0.0135 | Near hull (likely stable) | 2 | 0 |
| Sr4ZrTi3O12 | 1.75–1.98 eV | 0.0282 | Metastable | 2 | 0 |
| Ba2O18Ti8 | 2.70 eV | 0.0101 | Near hull (likely stable) | 2 | 0 |
| BaTi2O5 | 1.83–2.80 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ca3Ti2O7 | 2.53 eV | 0.0026 | Near hull (likely stable) | 2 | 0 |
| O3Sr1Ti1 | 1.74–1.85 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Ba2O20Pr4Ti6 | 1.95 eV | 0.0034 | Near hull (likely stable) | 2 | 0 |
| Ba2SrTi3O9 | 1.81 eV | 0.0073 | Near hull (likely stable) | 2 | 0 |
| Ba3Ti2O7 | 2.27 eV | 0.0319 | Metastable | 2 | 0 |
| Ba4CaTi5O15 | 1.71 eV | 0.0281 | Metastable | 2 | 0 |
| BaSr3Ti4O12 | 1.74 eV | 0.0037 | Near hull (likely stable) | 2 | 0 |
| Ca2TiO4 | 1.57 eV | 0.0361 | Metastable | 2 | 0 |
| Ca2TiSiO6 | 2.37 eV | 0.1043 | Above hull | 2 | 0 |
| O7Sr3Ti2 | 1.84 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Sr2TiO4 | 1.91 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Sr3CaTi4O12 | 1.92 eV | 0.0099 | Near hull (likely stable) | 2 | 0 |
| Sr3ZrTi2O9 | 1.94 eV | 0.0180 | Near hull (likely stable) | 2 | 0 |
| Sr4Zr3TiO12 | 2.60 eV | 0.0154 | Near hull (likely stable) | 2 | 0 |
| SrCa3Ti4O12 | 2.17 eV | 0.0096 | Near hull (likely stable) | 2 | 0 |
| Ti5Pb5O14 | 0.41 eV | 0.0941 | Metastable | 2 | 0 |
| CaO6PbTi2 | 2.00–2.23 eV | 0.0103 | Near hull (likely stable) | 2 | 0 |
| Ba4F16O4Ti4 | 3.34 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ca1O3Ti1 | 1.83–3.57 eV | 0.0000 | On hull (stable) | 1 | 0 |
| O14Pb2Ti6 | 1.98 eV | 0.0015 | Near hull (likely stable) | 2 | 0 |
Frequently Asked Questions
How many perovskite titanates are in the database?
787 perovskite titanates are tracked, of which 55 have multi-source DFT validation and 6 have documented synthesis routes.
What is the most data-rich perovskite titanate?
Which perovskite titanate has the widest band gap?
What makes the perovskite structure unique for titanates?
Why are barium titanate-based materials so important for electronics?
How does strontium titanate differ from barium titanate?
Can the properties of perovskite titanates be modified?
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