Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 9(23), p. 5578-5582, 2021
DOI: 10.1039/d0cp06671k
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Predicting the Structural, Electronic and Magnetic Properties of Few Atomic-layer Polar Perovskite
Journal article published in 2021 by
Shaowen Xu 
,
Fanhao Jia ,
Shuobo Hu,
Sundaresan Athinarayanan,
Nikita V. Ter-Oganessian ,
Alexander P. Pyatakov,
Jinrong Cheng,
Jincang Zhang,
Shixun Cao ,
Wei Ren,
Wei Ren§
,
Fanhao Jia ,
Shuobo Hu,
Sundaresan Athinarayanan,
Nikita V. Ter-Oganessian ,
Alexander P. Pyatakov,
Jinrong Cheng,
Jincang Zhang,
Shixun Cao ,
Wei Ren,
Wei Ren§
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Abstract
Density functional theory predictions of polar perovskite KTaO3 when approaching the two-dimensional (2D) limit for electrically neutral and charged few-atomic-layer cases.