Can Orbital-Selective Néel Transitions Survive Strong Nonlocal Electronic Correlations?

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Main Authors: Stepanov, Evgeny A., Biermann, Silke
Format: Preprint
Published: 2023
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author Stepanov, Evgeny A.
Biermann, Silke
author_facet Stepanov, Evgeny A.
Biermann, Silke
contents Spin- or orbital-selective behaviours in correlated electron materials offer rich promise for spintronics or orbitronics phenomena and applications deriving from them. Strong local electronic Coulomb correlations might lead to an orbital-selective Mott state, characterised by the coexistence of localized electrons in some orbitals with itinerant electrons in others. Nonlocal electronic fluctuations are much more entangled in orbital space than the local ones. For this reason, finding orbital-selective phenomena related to nonlocal correlations, such as orbital-selective magnetic transitions, is a challenge. In this work we investigate possibilities to realize an orbital-selective Néel transition (OSNT). We illustrate that stabilising this state requires a decoupling of magnetic fluctuations in different orbitals, which can only be realized in the absence of Hund's exchange coupling. On the basis of two-orbital calculations for a Hubbard model with different bandwidths we show that the proposed OSNT can be found all the way from the weak to the strong coupling regime. In the weak coupling regime the transition is governed by a Slater mechanism and thus occurs first for the narrow orbital. At strong coupling a Heisenberg mechanism of the OSNT sets in, and the transition occurs first for the wide orbital. Remarkably, at intermediate values of the interaction we find a non-trivial regime of the OSNT, where the Slater mechanism leads to a Néel transition occurring first for the wide orbital. Our work suggests strategies for searching for orbital-selective Néel ordering in real materials, in view of possible spin-orbitronics applications.
format Preprint
id arxiv_https___arxiv_org_abs_2305_16730
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Can Orbital-Selective Néel Transitions Survive Strong Nonlocal Electronic Correlations?
Stepanov, Evgeny A.
Biermann, Silke
Strongly Correlated Electrons
Spin- or orbital-selective behaviours in correlated electron materials offer rich promise for spintronics or orbitronics phenomena and applications deriving from them. Strong local electronic Coulomb correlations might lead to an orbital-selective Mott state, characterised by the coexistence of localized electrons in some orbitals with itinerant electrons in others. Nonlocal electronic fluctuations are much more entangled in orbital space than the local ones. For this reason, finding orbital-selective phenomena related to nonlocal correlations, such as orbital-selective magnetic transitions, is a challenge. In this work we investigate possibilities to realize an orbital-selective Néel transition (OSNT). We illustrate that stabilising this state requires a decoupling of magnetic fluctuations in different orbitals, which can only be realized in the absence of Hund's exchange coupling. On the basis of two-orbital calculations for a Hubbard model with different bandwidths we show that the proposed OSNT can be found all the way from the weak to the strong coupling regime. In the weak coupling regime the transition is governed by a Slater mechanism and thus occurs first for the narrow orbital. At strong coupling a Heisenberg mechanism of the OSNT sets in, and the transition occurs first for the wide orbital. Remarkably, at intermediate values of the interaction we find a non-trivial regime of the OSNT, where the Slater mechanism leads to a Néel transition occurring first for the wide orbital. Our work suggests strategies for searching for orbital-selective Néel ordering in real materials, in view of possible spin-orbitronics applications.
title Can Orbital-Selective Néel Transitions Survive Strong Nonlocal Electronic Correlations?
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2305.16730