Photochromism of UV-annealed Fe-doped SrTiO<sub>3</sub>
نویسندگان
چکیده
High-temperature annealing coupled with above bandgap UV illumination is an emerging approach to manipulate defect chemistries and resultant properties of electroceramics. To explore defect-processing-property relationships in these materials, advanced multiphysics multiscale model has been developed, which involves (a) high-fidelity first principles simulations energies, (b) grand canonical thermodynamics equilibria, (c) UV-perturbed formation energies from Shockley–Read–Hall generation recombination, (d) finite-element analyses electrostatic potential redistribution. Using this model, bottom-up insights into mechanisms associated the UV-induced brown photochromism Fe-doped SrTiO3 at high temperatures are provided. It found that leads dissociation FeTi-vO complex reduction oxygen vacancy concentration through exchange gas reservoir. Changes populations cause reionization FeTi −1 0 charge state maintain neutrality. This collectively gives rise increased FeTi0, source chromism. In addition, reproduces experimentally observed electrical resistance degradation samples annealed manner due increasing hole material time. The present itself offers a route guide facilitate future efforts field.
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ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2021
ISSN: ['1520-8842', '0003-6951', '1077-3118']
DOI: https://doi.org/10.1063/5.0068523