Size control of Magnetism, Charge and Orbital Order in Half-Doped Manganite, La$_{0.5}$Ca$_{0.5}$MnO$_3$

ORAL

Abstract

Motivated by recent experimental results, we study the effect of size reduction on half-doped manganite, La$_{0.5}$Ca$_{0.5}$MnO$_3$, using the combination of density functional theory (DFT) and dynamical mean field theory (DMFT). We find that upon size reduction, the charge-ordered antiferromagnetic phase, observed in bulk, to be destabilized, giving rise to the stability of a ferromagnetic metallic state. Our theoretical results, carried out on defect-free nanocluster in isolation, establish the structural changes that follow upon size reduction to be responsible for this. Our study further points out the effect of size reduction to be distinctively different from application of hydrostatic pressure. Interestingly, our DFT+DMFT study, additionally, reports the correlation-driven stability of charge-orbitally ordered state in bulk La$_{0.5}$Ca$_{0.5}$MnO$_3$, even in absence of long range magnetic order.

Authors

  • T. Saha-Dasgupta

    S.N Bose National Centre for Basic Sciences, S.N.Bose National Centre for Basic Sciences, S.N.Bose National Centre, Bose National Centre for Basic Sciences

  • Hena Das

    Cornell University, Postdoctoral Research Associate

  • Giorgio Sangiovanni

    Institute for Solid State Physics, Vienna University of Technology, 1040 Wien, Austria, Vienna University of Technology, Institut für Festkörperphysik, Vienna

  • A. Valli

    Institute for Solid State Physics, Vienna University of Technology, 1040 Wien, Austria

  • K. Held

    Institute for Solid State Physics, Vienna University of Technology, 1040 Wien, Austria, Vienna University of Technology