Charge ordering at the interface in (LaMnO$_3$)$_{2n}$/(SrMnO$_3$)$_n$ superlattices as the origin of their insulating state

We have performed ab initio calculations within the LDA+U method in the multilayered system (LaMnO $_{3}$ ) $_{2 n}$ / (SrMnO $_{3}$ ) $_{n}$ . Our results suggest a charge-ordered state that alternates Mn $^{3 +}$ and Mn $^{4 +}$ 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 LaMnO $_{3}$ and SrMnO $_{3}$ . 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.

Charge ordering at the interface in (LaMnO $_{3}$ ) $_{2 n}$ /(SrMnO $_{3}$ ) $_{n}$ superlattices as the origin of their insulating state

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Charge ordering at the interface in (LaMnO $_{3}$ ) $_{2 n}$ /(SrMnO $_{3}$ ) $_{n}$ superlattices as the origin of their insulating state

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Charge ordering at the interface in (LaMnO33​)2n2n​/(SrMnO33​)nn​ superlattices as the origin of their insulating state

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Charge ordering at the interface in (LaMnO33​)2n2n​/(SrMnO33​)nn​ superlattices as the origin of their insulating state

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Charge ordering at the interface in (LaMnO $_{3}$ ) $_{2 n}$ /(SrMnO $_{3}$ ) $_{n}$ superlattices as the origin of their insulating state

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Charge ordering at the interface in (LaMnO $_{3}$ ) $_{2 n}$ /(SrMnO $_{3}$ ) $_{n}$ superlattices as the origin of their insulating state

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AI智能校验