Journal Article

FZJ-2019-01927

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electronic correlation and magnetic frustration in Li 2 VOSiO 4 and VOMoO 4

Kiani, A. ; Pavarini, E. (Corresponding author)FZJ*

2016
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/21847  doi:10.1103/PhysRevB.94.075112

Abstract: Li2VOSiO4 and VOMoO4 have been proposed as realizations of the frustrated two-dimensional J1−J2 quantum Heisenberg model. In this work, in order to test this picture, we study their electronic and magnetic properties by using the local-density approximation + dynamical mean-field theory method. We calculate the magnetic linear response function starting from material-specific Hubbard models and systematically map our results onto those from generalized quantum Heisenberg models. We obtain the effective local magnetic moments and the associated magnetic exchange couplings, in particular the ratio J2/J1, a measure of the frustration degree, and the ratio 2J⊥/(J1+J2), measuring the three-dimensionality degree. Our results support a weak frustration picture for both materials, with small but non-negligible long-range interplane couplings, leading to three-dimensional order at low temperature. Implications for the physics of the two systems are discussed.

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Contributing Institute(s):

1. Theoretische Nanoelektronik (IAS-3)
2. JARA - HPC (JARA-HPC)

Research Program(s):

1. 144 - Controlling Collective States (POF3-144) (POF3-144)
2. Spin-orbital order-disorder transitions in strongly correlated systems (jiff46_20161101) (jiff46_20161101)
3. Multiplet effects in strongly correlated materials (jiff41_20091101) (jiff41_20091101)
4. Multiplet effects in strongly correlated materials (jara0050_20130501) (jara0050_20130501)

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

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