Unconventional dual 1D-2D quantum spin liquid revealed by $ab$ $initio$ studies on organic solids family

Abstract

Organic solids host various electronic phases. Especially, a milestone compound of organic solid, ${\beta }^{\prime }$-$X$[Pd(dmit)${}_2$]${}_2$ with $X$=EtMe${}_3$Sb shows quantum spin-liquid (QSL) properties suggesting a novel state of matter. However, nature of the QSL has been largely unknown. Here, we computationally study five compounds comprehensively with different $X$ using 2D $ab$ $initio$ Hamiltonians and correctly reproduce experimental phase diagram with antiferromagnetic order for $X$=Me${}_4$P, Me${}_4$As, Me${}_4$Sb, Et${}_2$Me${}_2$As and a QSL for $X$=EtMe${}_3$Sb without adjustable parameters. We find that the QSL for $X$=EtMe${}_3$Sb exhibits 1D nature characterized by algebraic decay of spin correlation along one direction, while exponential decay in the other direction, indicating dimensional reduction from 2D to 1D. The 1D nature indeed accounts for the experimental specific heat, thermal conductivity and magnetic susceptibility. The identified QSL, however, preserves 2D nature as well consistently with spin fractionalization into spinon with Dirac-like gapless excitations and reveals duality bridging the 1D and 2D QSLs.

arXiv comment12 pages, 8 figures, 2 tables

References in corpus (32)

• SciPy 1.0--Fundamental Algorithms for Scientific Computing in Python
• Maximally-localized generalized Wannier functions for composite energy bands
• Maximally-localized Wannier functions for entangled energy bands
• Solving the Quantum Many-Body Problem with Artificial Neural Networks
• Quantum Spin Liquid States
• Spin Liquid State in an Organic Mott Insulator with Triangular Lattice
• Generalized Lanczos Algorithm for Variational Quantum Monte Carlo
• Restricted-Boltzmann-Machine Learning for Solving Strongly Correlated Quantum Systems
• Resonating Valence Bond Wave Functions for Strongly Frustrated Spin Systems
• Two spin liquid phases in the spatially anisotropic triangular Heisenberg model
• Variational description of Mott insulators
• The thermal conductivity of the spin-1/2 XXZ chain at arbitrary temperature
• Variational Monte Carlo Method Combined with Quantum-Number Projection and Multi-Variable Optimization
• Emergence of inhomogeneous moments from spin liquid in the triangular-lattice Mott insulator $\kappa$-(ET)${}_2$Cu${}_2$(CN)${}_3$
• mVMC - Open-source software for many-variable variational Monte Carlo method
• Neural Gutzwiller-projected variational wave functions
• Spin Liquid Phase in Anisotropic Triangular Lattice Heisenberg Model: Exact diagonalization and density-matrix renormalization group calculations
• Spectral signatures of fractionalization in the frustrated Heisenberg model on the square lattice
• Novel Pauli-paramagnetic quantum phase in a Mott insulator
• Absence of magnetic thermal conductivity in the quantum spin liquid candidate EtMe3Sb[Pd(dmit)2]2 -- revisited
• Path-Integral Renormalization Group Method for Numerical Study of Strongly Correlated Electron Systems
• Ab initio two-dimensional multiband low-energy models of EtMe_3Sb[Pd(dmit)_2]_2 and κ-(BEDT-TTF)_2Cu(NCS)_2 with comparisons to single-band models
• One-dimensional spin liquid, collinear, and spiral phases from uncoupled chains to the triangular lattice
• Presence and absence of itinerant gapless excitations in the quantum spin liquid candidate EtMe${}_3$Sb[Pd(dmit)${}_2$]${}_2$
• Importance of anisotropy in the spin-liquid candidate Me3EtSb[Pd(dmit)2]2
• Electronic Correlation and Geometrical Frustration in Molecular Solids -- A Systematic ab initio Study of ${\beta }^{\prime }$-$X$[Pd(dmit)${}_2$]${}_2$
• $Ab$ $initio$ derivation and exact-diagonalization analysis of low-energy effective Hamiltonians for ${\beta }^{\prime }$-X[Pd(dmit)${}_2$]${}_2$
• Fragmented Electronic Spins with Quantum Fluctuations in Organic Mott Insulators near Quantum Spin Liquid
• Frustration, ring exchange, and the absence of long-range order in EtMe${}_3$Sb[Pd(dmit)${}_2$]${}_2$: from first principles to many-body theory
• Algebraic Charge Dynamics of Quantum Spin Liquid b'-EtMe3Sb[Pd(dmit)2]2
• Evidence of one-dimensional magnetic heat transport in the triangular-lattice antiferromagnet Cs${}_2$CuCl${}_4$
• $x$-[Pd(dmit)${}_2$]${}_2$ as a quasi-1D, scalene Heisenberg model

Cited by in corpus (12)

• Variational Benchmarks for Quantum Many-Body Problems
• Superconductivity studied by solving ab initio low-energy effective Hamiltonians for carrier doped CaCuO${}_2$, Bi${}_2$Sr${}_2$CuO${}_6$, Bi${}_2$Sr${}_2$CaCu${}_2$O${}_8$, and HgBa${}_2$CuO${}_4$
• Gap opening mechanism for correlated Dirac electrons in organic compounds $\alpha$-(BEDT-TTF)${}_2$I${}_3$ and $\alpha$-(BEDT-TSeF)${}_2$I${}_3$
• Comprehensive $ab$ $initio$ investigation of the phase diagram of quasi-one-dimensional molecular solids
• Magnetic phases of the anisotropic triangular lattice Hubbard model
• Interface tool from Wannier90 to RESPACK: wan2respack
• Quantum many-body solver using artificial neural networks and its applications to strongly correlated electron systems
• Quantum criticality of bandwidth-controlled Mott transition
• Correlated Zak insulator in organic antiferromagnets
• Pressure-induced topological changes in Fermi surface of two-dimensional molecular conductor
• Quasi-one-dimensional Spin Dynamics in a Molecular Spin Liquid System
• Combined X-ray diffraction, electrical resistivity, and $ab$ $initio$ study of (TMTTF)${}_2$PF${}_6$ under pressure: implications to the unified phase diagram