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...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2017
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| Online Access: | http://hdl.handle.net/1721.1/109164 https://orcid.org/0000-0001-8966-4169 https://orcid.org/0000-0002-2688-5666 https://orcid.org/0000-0001-5735-0560 |