Domain walls in strontium titanate

Abstract

Density functional theory calculations of twin-domain walls in strontium titanate are presented. The two possible domain walls are characterized. The domain wall type is set by the relative phase of the octahedral rotations in the body-centered-tetragonal SrTiO${}_3$ on either side of the domain wall. The width of the domain walls is estimated to be approximately 3 nm.

8 pages, 3 figures, Recent Developments in Computer Simulation Studies in Condensed Matter Physics, Center for Simulational Physics, Department of Physics & Astronomy, The University of Georgia, Feb. 19-23, 2018

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Cited by in corpus (1)

• Majorana-Weyl cones in ferroelectric superconductors