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Domain walls in strontium titanate

Materials Science 2019-09-17 v1 Superconductivity

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 SrTiO3_3 on either side of the domain wall. The width of the domain walls is estimated to be approximately 3 nm.

Cite

@article{arxiv.1909.07281,
  title  = {Domain walls in strontium titanate},
  author = {C. Stephen Hellberg},
  journal= {arXiv preprint arXiv:1909.07281},
  year   = {2019}
}

Comments

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

R2 v1 2026-06-23T11:16:51.806Z