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

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Main Authors: Das, Hena, Sangiovanni, G., Valli, A., Held, K., Saha-Dasgupta, T.
Format: Preprint
Published: 2011
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author Das, Hena
Sangiovanni, G.
Valli, A.
Held, K.
Saha-Dasgupta, T.
author_facet Das, Hena
Sangiovanni, G.
Valli, A.
Held, K.
Saha-Dasgupta, T.
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_1110_2912
institution arXiv
publishDate 2011
record_format arxiv
spellingShingle Size control of Charge-Orbital Order in Half-Doped Manganite, La$_{0.5}$Ca$_{0.5}$MnO$_3$
Das, Hena
Sangiovanni, G.
Valli, A.
Held, K.
Saha-Dasgupta, T.
Strongly Correlated Electrons
Mesoscale and Nanoscale Physics
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.
title Size control of Charge-Orbital Order in Half-Doped Manganite, La$_{0.5}$Ca$_{0.5}$MnO$_3$
topic Strongly Correlated Electrons
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/1110.2912