Structure and pressure-induced ferroelectric phase transition in antiphase domain boundaries of strontium titanate from first principles
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The ferroelectric transition of bulk strontium titanate is suppressed by a combination of two effects: (1) the structural changes produced by the antiferrodistortive transition at T-a =105 K and (2) the quantum fluctuations. The structural changes are stro ...
The structure of the antiphase domain boundaries of strontium titanate SrTiO3 that exist at temperatures below the antiferrodistortive transition, is analyzed. It is found that some boundaries are similar to Neel domain walls, as an additional component of ...
