Kink in Stoner Factor as a Signature of Changing Magnetic Fluctuations in the Organic Conductor $\lambda$-(BETS)${}_2$GaCl${}_4$

Abstract

In this study, we theoretically investigated the magnetic properties of the quasi-two-dimensional organic conductor $\lambda$-(BETS)${}_2$GaCl${}_4$ using a multi-band Hubbard model and the two-particle self-consistent method. We employed a four-band model in which each BETS molecule is considered as a site and a two-band model that considers each BETS dimer as a site. Our results for the temperature dependence of the Stoner factor reveal a kink around $T_{\mathrm{kink}}\approx 5\mathrm{meV}$, which indicates a change in the dominant magnetic fluctuations. A broad structure indicating smeared antiferromagnetic (AFM) fluctuations was observed above $T_{\mathrm{kink}}$, whereas the spin susceptibility peaked at a wavevector corresponding to spin-density-wave (SDW)-like fluctuations below $T_{\mathrm{kink}}$. The kink disappears as the intra-dimer transfer integral increased and the AFM fluctuations were enhanced. Our findings are consistent with those of previous experimental observations, which have also reported a change in magnetic properties from AFM to SDW-like fluctuations upon cooling.

5 pages, 4 figures

References in corpus (6)

• Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
• Development of a two-particle self-consistent method for multi-orbital systems and its application to unconventional superconductors
• Electronic Correlation and Geometrical Frustration in Molecular Solids -- A Systematic ab initio Study of ${\beta }^{\prime }$-$X$[Pd(dmit)${}_2$]${}_2$
• Thermodynamic evidence for the formation of a Fulde-Ferrell-Larkin-Ovchinnikov phase in the organic superconductor $\lambda$-(BETS)${}_2$GaCl${}_4$
• Charge imbalance in $\lambda$-(BETS)${}_2$GaCl${}_4$ and their interplay with superconductivity
• Ferrimagnetism Induced by Off-Site Coulomb Interaction in an Itinerant Electron System