Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials

Abstract Despite serious effort, the nature of the magnetic interactions and the role of electron-correlation effects in magnetic two-dimensional (2D) van der Waals materials remains elusive. Using CrI3 as a model system, we show that the calculated electronic structure including nonlocal electron c...

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Autores principales:	Liqin Ke, Mikhail I. Katsnelson
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/0f3a8dbafbcc4c518c66ad3e7c5496b2
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spelling	oai:doaj.org-article:0f3a8dbafbcc4c518c66ad3e7c5496b22021-12-02T15:07:24ZElectron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials10.1038/s41524-020-00469-22057-3960https://doaj.org/article/0f3a8dbafbcc4c518c66ad3e7c5496b22021-01-01T00:00:00Zhttps://doi.org/10.1038/s41524-020-00469-2https://doaj.org/toc/2057-3960Abstract Despite serious effort, the nature of the magnetic interactions and the role of electron-correlation effects in magnetic two-dimensional (2D) van der Waals materials remains elusive. Using CrI3 as a model system, we show that the calculated electronic structure including nonlocal electron correlations yields spin excitations consistent with inelastic neutron-scattering measurements. Remarkably, this approach identifies an unreported correlation-enhanced interlayer super-superexchange, which rotates the magnon Dirac lines off, and introduces a gap along the high-symmetry Γ-K-M path. This discovery provides a different perspective on the gap-opening mechanism observed in CrI3, which was previously associated with spin–orbit coupling through the Dzyaloshinskii–Moriya interaction or Kitaev interaction. Our observation elucidates the critical role of electron correlations on the spin ordering and spin dynamics in magnetic van der Waals materials and demonstrates the necessity of explicit treatment of electron correlations in the broad family of 2D magnetic materials.Liqin KeMikhail I. KatsnelsonNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Liqin Ke Mikhail I. Katsnelson Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
description	Abstract Despite serious effort, the nature of the magnetic interactions and the role of electron-correlation effects in magnetic two-dimensional (2D) van der Waals materials remains elusive. Using CrI3 as a model system, we show that the calculated electronic structure including nonlocal electron correlations yields spin excitations consistent with inelastic neutron-scattering measurements. Remarkably, this approach identifies an unreported correlation-enhanced interlayer super-superexchange, which rotates the magnon Dirac lines off, and introduces a gap along the high-symmetry Γ-K-M path. This discovery provides a different perspective on the gap-opening mechanism observed in CrI3, which was previously associated with spin–orbit coupling through the Dzyaloshinskii–Moriya interaction or Kitaev interaction. Our observation elucidates the critical role of electron correlations on the spin ordering and spin dynamics in magnetic van der Waals materials and demonstrates the necessity of explicit treatment of electron correlations in the broad family of 2D magnetic materials.
format	article
author	Liqin Ke Mikhail I. Katsnelson
author_facet	Liqin Ke Mikhail I. Katsnelson
author_sort	Liqin Ke
title	Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
title_short	Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
title_full	Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
title_fullStr	Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
title_full_unstemmed	Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
title_sort	electron correlation effects on exchange interactions and spin excitations in 2d van der waals materials
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/0f3a8dbafbcc4c518c66ad3e7c5496b2
work_keys_str_mv	AT liqinke electroncorrelationeffectsonexchangeinteractionsandspinexcitationsin2dvanderwaalsmaterials AT mikhailikatsnelson electroncorrelationeffectsonexchangeinteractionsandspinexcitationsin2dvanderwaalsmaterials
_version_	1718388431151693824

Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials

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