most citedGeneration of low-symmetry perovskite structures for ab initio computation

14 citations · 14 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2019★ 14 cited

Generation of low-symmetry perovskite structures for ab initio computation

N. Xie, J. Zhang, N. Zhang +2

Ion displacements are the cause of the ferroelectricity in perovskites. By properly shifting ions, ab initio computations have been extensively used to investigate properties of pe…