Strain control of layer-resolved negative capacitance in superlattices

Raymond Walter (1) , Sergey Prosandeev (1) , Charles Paillard (2, 1) , L. Bellaiche (1)

1 University of Arkansas [Fayetteville]
2 SPMS - Laboratoire Structures, Propriétés et Modélisation des solides

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.

Domaines: Matière Condensée [cond-mat]

Raymond Walter, Sergey Prosandeev, Charles Paillard, L. Bellaiche. Strain control of layer-resolved negative capacitance in superlattices. npj Computational Materials, 2020, 6 (1), pp.186. ⟨10.1038/s41524-020-00459-4⟩. ⟨hal-03043735⟩