Strain control of layer-resolved negative capacitance in superlattices

NPJ COMPUTATIONAL MATERIALS(2020)

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摘要
Negative capacitance in BaTiO 3 /SrTiO 3 superlattices is investigated by Monte Carlo simulations in an atomistic effective Hamiltonian model, using fluctuation formulas for responses to the local macroscopic field that incorporates depolarizing fields. We show that epitaxial strain can tune the negative capacitance of the BaTiO 3 ferroelectric layer and the overall capacitance of the system. In addition, we predict and explain an original switching of the negative capacitance from the BaTiO 3 layer to the SrTiO 3 layer at low temperatures for intermediate strains.
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关键词
Atomistic models,Electronic devices,Materials Science,general,Characterization and Evaluation of Materials,Mathematical and Computational Engineering,Theoretical,Mathematical and Computational Physics,Computational Intelligence,Mathematical Modeling and Industrial Mathematics
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