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Physical review B
We predict a predominance diagram for electron defects in the temperature-hydrostatic stress space for SrTiO 3 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 relaxation volume of the defect , and under compressive stress at higher temperature due to a smaller and larger formation entropy. This provides a means to modulate the electronic conductivity viadoi:10.1103/physrevb.95.161110 fatcat:5lzznmm2lfcyvixoewp3p5kc6u