Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components

Ghosh, Saurabh; Borisevich, Albina Y.; Pantelides, Sokrates T.

doi:10.1103/PhysRevLett.119.177603

Title: Engineering an Insulating Ferroelectric Superlattice with a Tunable Band Gap from Metallic Components

Journal Article · Wed Oct 25 00:00:00 EDT 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.119.177603· OSTI ID:1422580

Ghosh, Saurabh ^[1];

^[2]; Pantelides, Sokrates T. ^[1]

Vanderbilt Univ., Nashville, TN (United States). Department of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division

The recent discovery of “polar metals” with ferroelectriclike displacements offers the promise of designing ferroelectrics with tunable energy gaps by inducing controlled metal-insulator transitions. Here in this work, we employ first-principles calculations to design a metallic polar superlattice from nonpolar metal components and show that controlled intermixing can lead to a true insulating ferroelectric with a tunable band gap. We consider a 2/2 superlattice made of two centrosymmetric metallic oxides, La_0.75Sr_0.25MnO₃ and LaNiO₃, and show that ferroelectriclike displacements are induced. The ferroelectriclike distortion is found to be strongly dependent on the carrier concentration (Sr content). Further, we show that a metal-to-insulator (MI) transition is feasible in this system via disproportionation of the Ni sites. Such a disproportionation and, hence, a MI transition can be driven by intermixing of transition metal ions between Mn and Ni layers. Finally, as a result, the energy gap of the resulting ferroelectric can be tuned by varying the degree of intermixing in the experimental fabrication method.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Vanderbilt Univ., Nashville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; FG02-09ER46554

OSTI ID:: 1422580

Alternate ID(s):: OSTI ID: 1404745; OSTI ID: 1597853

Journal Information:: Physical Review Letters, Vol. 119, Issue 17; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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