Charge ordering at the interface in (LaMnO3)2 n/(SrMnO3)n superlattices as the origin of their insulating state

Víctor Pardo; Antía S. Botana; Daniel Baldomir

doi:10.1063/1.4866271

Charge ordering at the interface in (LaMnO₃)₂ _n/(SrMnO₃)_n superlattices as the origin of their insulating state

Víctor Pardo
, Antía S. Botana
, Daniel Baldomir

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

We have performed ab initio calculations within the local density approximation + U method in the multilayered system (LaMnO₃) _2n/(SrMnO₃)_n. Our results suggest a charge-ordered state that alternates Mn³⁺ and Mn⁴⁺ cations in a checkerboard in-plane pattern is developed at the interfacial layer, leading to a gap opening. Such an interfacial charge-ordered situation would be the energetically favored reconstruction between LaMnO₃ and SrMnO₃. This helps understanding the insulating behavior observed experimentally in these multilayers at intermediate values of n, whose origin is known to be due to some interfacial mechanism.

Original language	English (US)
Article number	081602
Journal	Applied Physics Letters
Volume	104
Issue number	8
DOIs	https://doi.org/10.1063/1.4866271
State	Published - Feb 24 2014
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.4866271

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abstract = "We have performed ab initio calculations within the local density approximation + U method in the multilayered system (LaMnO3) 2n/(SrMnO3)n. Our results suggest a charge-ordered state that alternates Mn3+ and Mn4+ cations in a checkerboard in-plane pattern is developed at the interfacial layer, leading to a gap opening. Such an interfacial charge-ordered situation would be the energetically favored reconstruction between LaMnO3 and SrMnO3. This helps understanding the insulating behavior observed experimentally in these multilayers at intermediate values of n, whose origin is known to be due to some interfacial mechanism.",

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AU - Pardo, Víctor

AU - Botana, Antía S.

AU - Baldomir, Daniel

PY - 2014/2/24

Y1 - 2014/2/24

N2 - We have performed ab initio calculations within the local density approximation + U method in the multilayered system (LaMnO3) 2n/(SrMnO3)n. Our results suggest a charge-ordered state that alternates Mn3+ and Mn4+ cations in a checkerboard in-plane pattern is developed at the interfacial layer, leading to a gap opening. Such an interfacial charge-ordered situation would be the energetically favored reconstruction between LaMnO3 and SrMnO3. This helps understanding the insulating behavior observed experimentally in these multilayers at intermediate values of n, whose origin is known to be due to some interfacial mechanism.

AB - We have performed ab initio calculations within the local density approximation + U method in the multilayered system (LaMnO3) 2n/(SrMnO3)n. Our results suggest a charge-ordered state that alternates Mn3+ and Mn4+ cations in a checkerboard in-plane pattern is developed at the interfacial layer, leading to a gap opening. Such an interfacial charge-ordered situation would be the energetically favored reconstruction between LaMnO3 and SrMnO3. This helps understanding the insulating behavior observed experimentally in these multilayers at intermediate values of n, whose origin is known to be due to some interfacial mechanism.

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Charge ordering at the interface in (LaMnO₃)₂ _n/(SrMnO₃)_n superlattices as the origin of their insulating state

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