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EnglishOrganic charge-transfer salts based on the molecule Pd(dmit)(2) display strong electronic correlations and geometrical frustration, leading to spin-liquid, valence bond solid, and superconducting states, among other interesting phases. The low-energy electronic degrees of freedom of these materials are often described by a single band model: a triangular lattice with a molecular orbital representing a Pd(dmit)(2) dimer on each site. We use ab initio electronic structure calculations to construct and parametrize low-energy effective model Hamiltonians for a class of Me4-n EtnX[Pd(dmit)(2)](2) (X = As, P, N, Sb) salts and investigate how best to model these systems by using variational Monte Carlo simulations. Our findings suggest that the prevailing model of these systems as a t - t' triangular lattice is incomplete and that a fully anisotropic triangular lattice description produces importantly different results, including a significant lowering of the critical U of the spin-liquid phase.
| Titolo: | Importance of anisotropy in the spin-liquid candidate Me3EtSb[Pd(dmit)(2)](2) |
| Autori: | Jacko AC; Tocchio L; Jeschke HO; Valenti R |
| Rivista: | |
| Data di pubblicazione: | 2013 |
| Volume: | 88 |
| Fascicolo: | 15 |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1103/PhysRevB.88.155139 |
| Appare nelle tipologie: | 1.1 Journal article |
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http://hdl.handle.net/20.500.11767/33102
