Importance of anisotropy in the spin-liquid candidate Me 3EtSb[Pd(dmit)2]2

A. C. Jacko, Luca F. Tocchio, Harald Olaf Jeschke, Roser Valentí

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Organic 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 Et nX[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.

Original languageEnglish
Article number155139
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume88
Issue number15
DOIs
Publication statusPublished - Oct 31 2013
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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