Electronic correlation and magnetic frustration in Li 2 VOSiO 4 and VOMoO 4
Electronic correlation and magnetic frustration in Li 2 VOSiO 4 and VOMoO 4
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 c...
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Personal Name(s): | Kiani, Amin |
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Pavarini, Eva (Corresponding author) | |
Contributing Institute: |
JARA - HPC; JARA-HPC Theoretische Nanoelektronik; IAS-3 |
Published in: | Physical Review B Physical review / B, 94 94 (2016 2016) 7 7, S. 075112 075112 |
Imprint: |
Woodbury, NY
Inst.
2016
|
DOI: |
10.1103/PhysRevB.94.075112 |
Document Type: |
Journal Article |
Research Program: |
Multiplet effects in strongly correlated materials Multiplet effects in strongly correlated materials Spin-orbital order-disorder transitions in strongly correlated systems Controlling Collective States |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.94.075112 in citations.
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. |