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arXiv:2109.03851 · Physical review. B./Physical review. B

Triplet resonating valence bond theory and transition metal chalcogenides

Elio J. König, Yashar Komijani, Piers Coleman

Published Feb 22, 2022• 6 citations
arXivHTMLPDF

Abstract

We develop a quantum spin-liquid theory for quantum magnets with easy-plane ferromagnetic exchange. These strongly entangled quantum states are obtained by dimer coverings of two-dimensional (2D) lattices with triplet $S=1,{m}_{z}=0$ bonds, forming a triplet resonating valence bond (tRVB) state. We discuss the conditions and the procedure to transfer well-known results from conventional singlet resonating valence bond theory to tRVB. Additionally, we present mean field theories of Abrikosov fermions on 2D triangular and square lattices, which can be controlled in an appropriate large-$N$ limit. We also incorporate the effect of charge doping which stabilizes $(p+ip)$-wave superconductivity. Beyond the pure theoretical interest, our study may help to resolve contradictory statements on certain transition metal chalcogenides, including $1T\text{\ensuremath{-}}{\mathrm{TaS}}_{2}$, $1T\text{\ensuremath{-}}{\mathrm{TaSe}}_{2}$, as well as ${\mathrm{CrSiTe}}_{3}$ and ${\mathrm{CrGeTe}}_{3}$.

DOI
10.1103/physrevb.105.075142

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We develop a quantum spin-liquid theory for quantum magnets with easy-plane ferromagnetic exchange. These strongly entangled quantum states are obtained by dimer coverings of two-dimensional (2D) lattices with triplet S=1,mz=0S=1,{m}_{z}=0S=1,mz​=0 bonds, forming a triplet resonating valence bond (tRVB) state. We discuss the conditions and the procedure to transfer well-known results from conventional singlet resonating valence bond theory to tRVB. Additionally, we present mean field theories of Abrikosov fermions on 2D triangular and square lattices, which can be controlled in an appropriate large-NNN limit. We also incorporate the effect of charge doping which stabilizes (p+ip)(p+ip)(p+ip)-wave superconductivity. Beyond the pure theoretical interest, our study may help to resolve contradictory statements on certain transition metal chalcogenides, including 1T\ensuremath-TaS21T\text{\ensuremath{-}}{\mathrm{TaS}}_{2}1T\ensuremath-TaS2​, 1T\ensuremath-TaSe21T\text{\ensuremath{-}}{\mathrm{TaSe}}_{2}1T\ensuremath-TaSe2​, as well as CrSiTe3{\mathrm{CrSiTe}}_{3}CrSiTe3​ and CrGeTe3{\mathrm{CrGeTe}}_{3}CrGeTe3​.
Resonating valence bond (RVB) states are fundamental for understanding quantum spin liquids in two-dimensional (2D) systems. The RVB state is a collective phenomenon in which spins are uncoupled. 2D lattices such as triangular, honeycomb, and dice lattices were investigated using the Hubbard model and exact diagonalization method. We analyzed the total spin, spin-spin correlation functions, local magnetic moments, and spin and charge gaps as a function of on-site Coulomb repulsion, electron concentration, and electronic hopping parameters. Phase diagrams showed that RVB states can live in half-filled and hole-doped anisotropic triangular lattices. We found two types of RVB states: one in the honeycomb sublattice and the other in the centered hexagons in the triangular lattices. Owing to the novel discovery of exotic magnetic ordering in triangular moiré patterns in twisted bilayer graphene and transition metal dichalcogenide systems, our results provide physical insights into the onset of magnetism and possible spin liquid states in these layered materials.
Motivated by a recent experiment on Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​, where spin-1/2 Cu2+{\text{Cu}}^{2+}Cu2+ moments reside on the layers of kagome-like lattices, we investigate quantum ground states of the antiferromagnetic Heisenberg model on a series of deformed kagome lattices. The deformation is characterized by a weaker exchange coupling $\ensuremath{\alpha}J$ on certain lattice links appropriate for Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​ with $\ensuremath{\alpha}=1$ corresponding to the ideal kagome lattice. In particular, we study possible valence bond solid phases using the perturbation theory around isolated dimer limits, dimer series expansion, and self-consistent bond operator mean-field theory. It is shown that the valence bond solid phase with a 36-site unit cell of the ideal kagome lattice is quite sensitive to a small lattice distortion as the kind discovered in Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​. As a result, we find that a more likely quantum ground state in Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​ is the valence bond solid phase with a 12-site unit cell, where six dimers form a pinwheel structure, leading to strong modification of the elementary triplet and singlet excitation spectra in the deformed kagome lattices.
We investigate the ground state of the d1{d}^{1}d1 spin-orbital model for triply degenerate t2g{t}_{2g}t2g​ orbitals on a triangular lattice that unifies intrinsic frustration of spin and orbital interactions with geometrical frustration. Using full or Lanczos exact diagonalization of finite clusters, we establish that the ground state of the spin-orbital model that interpolates between superexchange and direct exchange interactions on the bonds is characterized by valence-bond correlations. In the absence of Hund's exchange the model describes a competition between various possible valence-bond states. By considering the clusters with open boundary conditions we demonstrate that orbital interactions are always frustrated, but this frustration is removed by pronounced spin singlet correlations that coexist with dimer orbital correlations supporting them. Such local configurations contribute to the disordered ground states found for the clusters with periodic boundary conditions that interpolate between a highly resonating, dimer-based, entangled spin-orbital liquid phase and a valence-bond state with completely static spin-singlet states. We argue that these states are also realized for the infinite lattice and anticipate that pronounced transitions between different regimes found for particular geometries will turn out to smooth crossovers in the properties of the spin-orbital liquid in the thermodynamic limit. Finally, we provide evidence that the resonating spin-orbital liquid phase involves entangled states on the bonds. In such a phase classical considerations based on the mean-field theory cannot be used, spin exchange interactions do not determine spin bond correlations, and quantum fluctuations play a crucial role in the ground states and magnetic transitions.
The spin-1/21/21/2 J1{J}_{1}J1​-J2{J}_{2}J2​ Heisenberg model on the square lattice represents one of the simplest examples in which the effects of magnetic interactions may suppress magnetic order, eventually leading to a pure quantum phase with no local order parameters. This model has been extensively studied in the last three decades, with conflicting results. Here, by using Gutzwiller-projected wave functions and recently developed methods to assess the low-energy spectrum, we show the existence of a level crossing between the lowest-energy triplet and singlet excitations for ${J}_{2}/{J}_{1}\ensuremath{\approx}0.54$. This fact supports the existence of a phase transition between a gapless spin liquid (which is stable for $0.48\ensuremath{\lesssim}{J}_{2}/{J}_{1}\ensuremath{\lesssim}0.54$) and a valence-bond solid (for $0.54\ensuremath{\lesssim}{J}_{2}/{J}_{1}\ensuremath{\lesssim}0.6$), even though no clear sign of dimer order is visible in the correlations functions. These results, which confirm recent density-matrix renormalization calculations on cylindrical clusters [L. Wang and A. W. Sandvik, Phys. Rev. Lett. 121, 107202 (2018)], reconcile the contradicting results obtained within different approaches over the years.
We investigate the anisotropic triangular lattice that interpolates from decoupled one-dimensional chains to the isotropic triangular lattice and has been suggested to be relevant for various quasi-two-dimensional materials such as Cs2CuCl4{\text{Cs}}_{2}{\text{CuCl}}_{4}Cs2​CuCl4​ or $\ensuremath{\kappa}\text{\ensuremath{-}}{(ET)}_{2}{\text{Cu}}_{2}{(\text{CN})}_{3}$. We obtain an excellent accuracy by means of a representation for the resonating valence-bond wave function with both singlet and triplet pairings. This approach allows us to establish that the magnetic order is rapidly destroyed away from the pure triangular lattice and incommensurate spin correlations are short range. A nonmagnetic spin liquid naturally emerges in a wide range of the phase diagram with strong one-dimensional character.
The spin-charge separation (SCS) in 1D and 2D are discussed from the viewpoint of gauge theory. For 1D I discuss the angle-resolved photoemission spectra (ARPES), which show clear evidence for the spin-charge separation. For 2D the underdoped cuprates are discussed, where the three classes of electronic state, i.e., the Néel state (N), the valence-bond solid (VBS) state and the resonating-valence-bond (RVB) state, are relevant. These states can be understood in terms of the competition between (i) magnetic ordering versus singlet formation and (ii) confinement versus deconfinement of the gauge field. It is fairly easy to understand the former, (i), but the latter, (ii), is more subtle and has not yet been established. I argue that the deconfining phase, i.e., the RVB state, is a new state of matter with SCS, and is realized when the sheet resistance is less than a critical value of the order of the quantum resistance . This condition is equivalent to that for superconductivity in the Josephson network model. The anomalous Kondo effect due to the non-magnetic impurities doped into the system reflects the non-Fermi-liquid nature of the host electronic state, and hence is the most promising experimental evidence for this new state of matter. We put special emphasis on the residual resistivity, and propose that its value provides a clear test for SCS.