Thermomechanical Stabilization of Electron Small Polarons in SrTiO₃ Assessed by the Quasiharmonic Approximation

Thermomechanical Stabilization of Electron Small Polarons in SrTiO₃ Assessed by the Quasiharmonic Approximation

We predict a predominance diagram for electron defects in the temperature-hydrostatic stress space for SrTiO₃ by combining density functional theory and the quasiharmonic approximation. We discovered two regimes where small polarons dominate: under tensile stress at lower temperature due to a larger...

Full description

Bibliographic Details
Main Authors: Youssef, Mostafa Youssef Mahmoud (Contributor), Yildiz, Bilge (Contributor), Van Vliet, Krystyn J (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Biological Engineering (Contributor), Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor), Massachusetts Institute of Technology. Laboratory for Nuclear Science (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2017-05-18T15:28:54Z.
Subjects:
Article
Online Access:Get fulltext

Internet

Get fulltext

Similar Items