Journal Article

FZJ-2022-03990

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png LaVO_3 : A true Kugel-Khomskii system

Zhang, X.-J.FZJ* ; Koch, E.FZJ* ; Pavarini, E. (Corresponding author)FZJ*

2022
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/32263  doi:10.1103/PhysRevB.106.115110

Abstract: We show that the t^2_2g perovskite LaVO_3, in its orthorhombic phase, is a rare case of a system hosting an orbital-ordering Kugel’-Khomskii phase transition rather than being controlled by the Coulomb-enhanced crystal-field splitting. We find that, as a consequence of this, the magnetic transition is close to (and even above) the superexchange driven orbital-ordering transition, whereas typically magnetism arises at much lower temperatures than orbital ordering. Our results support the experimental scenario of orbital ordering and G-type spin correlations just above the monoclinic-to-orthorhombic structural change. To explore the effects of crystal-field splitting and filling, we compare to YVO_3 and t^1_2g titanates. In all these materials the crystal field is sufficiently large to suppress the Kugel’-Khomskii phase transition.

Note: ISSN 2469-9969 not unique: **2 hits**.

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Contributing Institute(s):

1. Theoretische Nanoelektronik (IAS-3)
2. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 5215 - Towards Quantum and Neuromorphic Computing Functionalities (POF4-521) (POF4-521)
2. 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)

Appears in the scientific report 2022

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Electronics and Telecommunications Collection ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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