SrTiO3

Strontium titanate · ST, STO

Strontium titanate is a stable, semiconducting perovskite oxide widely used as a substrate in thin-film electronics and optical components.

Crystal structure of SrTiO3 (tetragonal, I4/mcm (No. 140))
Ground-state structure · Materials Project
Overview

About Strontium titanate

Strontium titanate is a prominent member of the perovskite oxide family, characterized by its robust thermodynamic stability. As a semiconducting material, it serves as a foundational building block in condensed matter physics and materials science research due to its structural versatility and reliable performance. Its ability to host various dopants makes it highly adaptable for complex electronic systems. The compound is widely utilized in the development of high-k dielectrics, thin-film substrates, and optoelectronic devices. Its structural integrity under diverse conditions ensures its continued relevance in both academic studies and industrial technological applications.

At a glance

Key Properties

Cross-validated computational properties for Strontium titanate, aggregated across 3 databases.

Band Gap

1.74–1.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrTiO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I4/mcm (No. 140)tetragonal1.850.0000-8.4385.09
I4/mcm (No. 140)tetragonal1.790.0001-8.4385.09
Pm-3m (No. 221)cubic1.770.0005-8.4385.09
P63/mmc (No. 194)hexagonal1.740.0391-8.3994.80
Pm-3m (No. 221)Cubic4.96
Pm-3m (No. 221)Cubic5.22
Pm-3m (No. 221)Cubic5.09
I4/mcm (No. 140)
Pm-3m (No. 221)
I4/mcm (No. 140)Tetragonal5.09
I4/mcm (No. 140)
P63/mmc (No. 194)Hexagonal4.91
Uses

Applications

Where Strontium titanate is used.

Substrate for thin-film depositionHigh-k dielectric capacitorsVaristorsOptical lensesSolid oxide fuel cells
Reference

Frequently Asked Questions

Common questions about Strontium titanate, answered from cross-validated data.

What is SrTiO3?

Strontium titanate is a stable, semiconducting perovskite oxide widely used as a substrate in thin-film electronics and optical components.

More questions
What is SrTiO3 used for?
Strontium titanate (SrTiO3) is used in substrate for thin-film deposition, high-k dielectric capacitors, varistors, optical lenses, and solid oxide fuel cells.
What is the band gap of SrTiO3?
Strontium titanate (SrTiO3) has a DFT-computed band gap of 1.74–1.85 eV across 16 reported structures.
Is SrTiO3 a metal, semiconductor, or insulator?
With a band gap up to 1.85 eV it is a semiconductor.
Is SrTiO3 thermodynamically stable?
Yes — Strontium titanate (SrTiO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrTiO3?
The lowest-energy reported polymorph of Strontium titanate (SrTiO3) is tetragonal symmetry, space group I4/mcm (No. 140).
What is the density of SrTiO3?
The computed density of the ground-state structure of Strontium titanate (SrTiO3) is 5.09 g/cm³.
How many polymorphs of SrTiO3 are known?
16 structures of SrTiO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does SrTiO3 contain?
Strontium titanate (SrTiO3) contains O, Sr, and Ti (3 elements).
Where does the data for SrTiO3 come from?
SrTiO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the perovskite oxides class.

Within the diverse group of perovskite oxides, SrTiO3 stands out as a highly stable and well-characterized material compared to more complex or magnetic counterparts like LaMnO3 or BiFeO3. While materials such as BaTiO3 are frequently utilized for their strong ferroelectric responses, SrTiO3 is often preferred as a high-quality substrate for epitaxial growth due to its excellent lattice matching and consistent semiconducting behavior, making it a cornerstone of modern thin-film engineering.

Explore

Related Compounds

Other Perovskite Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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