Metal-insulator transition and emergence of spontaneous polarization in (La$_{1-x}$Sr$_x$MnO$_3$)$_m$/(LaNiO$_3$)$_n$ superlattices constructed from metallic building blocks

ORAL

Abstract

La$_{0.7}$Sr$_{0.3}$MnO$_3$ and LaNiO$_3$ are metallic oxides. However, short-period superlattices of the form (La$_{0.7}$Sr$_{0.3}$MnO$_3$)$_m$ /(LaNiO$_3$)$_n$ show insulating behavior depending on $m$ and $n$. In particular, the insulating property is robust when $m=n=2$ (SL 2/2). Here, using first-principles density functional theory (DFT) and DFT+U (static $d-d$ Coulomb interaction), we explain the experimental observation and discuss a general mechanism that underlies such metal-insulator transition for different $m$ and $n$. The general mechanism is based on the finding that disproportionation on Ni sites is the key. Further, we predict that insulating SL 2/2 is ferroelectric with large spontaneous polarization. The ferroelectric distortion persists in the cases where the superlattices are metallic, which leads to the possibility of designing a new family of 'polar metals'. Finally, we discuss the origin of such polar distortion and its coupling with the magnetic properties (by considering spin-phonon coupling) of the material.

*This work is supported by DOE Grant number DE-FG02-09ER46554 and DOE BES DMSE

Authors

  • Saurabh Ghosh

    • Vanderbilt University, Oak Ridge National Laboratory, USA
  • Rohan Mishra

    • Washington University in St. Louis, USA
  • Jason Hoffman

    • Argonne National Laboratory, USA
  • Anand Bhattacharya

    • Argonne National Laboratory, USA
  • Albina Y. Borisevich

    • Oak Ridge National Laboratory, USA
  • Sokrates T. Pantelides

    • Vanderbilt University, USA