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arXiv:2211.02071 · Physical review. B./Physical review. B

Magnetic quantum phase transition in a metallic Kondo heterostructure

Zi Hong Liu, Bernhard Frank, Lukas Janssen, Matthias Vojta C, Fakher F. Assaad

Published Apr 4, 2023• 6 citations
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Abstract

We consider a two-dimensional quantum spin system described by a Heisenberg model that is embedded in a three-dimensional metal. The two systems couple via an antiferromagnetic Kondo interaction. In such a setup, the ground state generically remains metallic down to the lowest temperatures and allows us to study magnetic quantum phase transitions in metallic environments. From the symmetry point of view, translation symmetry is present in two out of three lattice directions such that crystal momentum is only partially conserved. Importantly, the construction provides a route to study, with negative-sign-free auxiliary-field quantum Monte Carlo methods, the physics of local moments in metallic environments. Our large-scale numerical simulations show that as a function of the Kondo coupling, the system has two metallic phases. In the limit of strong Kondo coupling, a paramagnetic heavy-fermion phase emerges. Here, the spin degree of freedom is screened by means of the formation of a composite quasiparticle that participates in the Luttinger count. At weak Kondo coupling, magnetic order is present. This phase is characterized by Landau-damped Goldstone modes. Furthermore, the aforementioned composite quasiparticle remains intact across the quantum phase transition.

DOI
10.1103/physrevb.107.165104

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We consider a two-dimensional quantum spin system described by a Heisenberg model that is embedded in a three-dimensional metal. The two systems couple via an antiferromagnetic Kondo interaction. In such a setup, the ground state generically remains metallic down to the lowest temperatures and allows us to study magnetic quantum phase transitions in metallic environments. From the symmetry point of view, translation symmetry is present in two out of three lattice directions such that crystal momentum is only partially conserved. Importantly, the construction provides a route to study, with negative-sign-free auxiliary-field quantum Monte Carlo methods, the physics of local moments in metallic environments. Our large-scale numerical simulations show that as a function of the Kondo coupling, the system has two metallic phases. In the limit of strong Kondo coupling, a paramagnetic heavy-fermion phase emerges. Here, the spin degree of freedom is screened by means of the formation of a composite quasiparticle that participates in the Luttinger count. At weak Kondo coupling, magnetic order is present. This phase is characterized by Landau-damped Goldstone modes. Furthermore, the aforementioned composite quasiparticle remains intact across the quantum phase transition.
We explore the physics of a spin-1/2 Heisenberg chain with Kondo interaction, Jk{J}_{k}Jk​, to a two-dimensional electron gas. At weak Jk{J}_{k}Jk​ the problem maps onto a Heisenberg chain locally coupled to a dissipative Ohmic bath. At the decoupled fixed point, the dissipation is a marginally relevant perturbation and drives long-range antiferromagnetic order along the chain. In the dynamical spin structure factor we observe a quadratic low-energy dispersion akin to Landau-damped Goldstone modes. At large Jk{J}_{k}Jk​ Kondo screening dominates, and the spin correlations of the chain inherit the power law of the host metal, akin to a paramagnetic heavy Fermi liquid. In both phases we observe heavy bands near the Fermi energy in the composite-fermion spectral function. Our results, obtained from auxiliary-field quantum Monte Carlo simulations, provide a negative-sign-free realization of a quantum transition between an antiferromagnetic metal and a heavy-fermion metal. We discuss the relevance of our results in the context of scanning tunneling spectroscopy experiments of magnetic adatom chains on metallic surfaces.
We investigate the magnetic order and related strongly correlated effects in a one-dimensional Ising-Kondo lattice with transverse field. This model is the anisotropic limit of the conventional isotropic Kondo lattice model, in the sense that the itinerant electrons interact with the localized magnetic moments via only longitudinal Kondo exchange. Adopting the numerical density-matrix renormalization group method, we map out the ground-state phase diagram in various parameter spaces. Depending on the Kondo coupling and filling number, three distinct phases, including a metallic paramagnetic, a metallic ferromagnetic, and a gapped spin-density wave phase, are obtained. The spin-density wave is characterized by an ordering wave vector, which coincides with the nesting wave vector of the Fermi surface. This makes the corresponding magnetic transition a spin analog of the Peierls transition occurring in the one-dimensional metal. Moreover, by analyzing the momentum distribution function and charge correlation function, the conduction electrons are shown to behave like free spinless fermions in the ferromagnetic phase. We finally discuss the effect of the repulsive Hubbard interaction between conduction electrons. Our paper enriches the Kondo physics and deepens the current understanding of the heavy fermion compounds.
The quantum phase transition from a spin-Peierls phase with a small Fermi surface to a paramagnetic Luttinger-liquid phase with a large Fermi surface is studied in the framework of a one-dimensional Kondo-Heisenberg model that consists of an electron gas away from half filling, coupled to a spin-1/2 chain by Kondo interactions. The Kondo spins are further coupled to each other with isotropic nearest-neighbor and next-nearest-neighbor antiferromagnetic Heisenberg interactions which are tuned to the Majumdar-Ghosh point. Focusing on three-eighths filling and using the density-matrix renormalization-group (DMRG) method, we show that the zero-temperature transition between the phases with small and large Fermi momenta appears continuous, and involves a new intermediate phase where the Fermi surface is not well defined. The intermediate phase is spin gapped and has Kondo-spin correlations that show incommensurate modulations. Our results appear incompatible with the local picture for the quantum phase transition in heavy fermion compounds, which predicts an abrupt change in the size of the Fermi momentum.
Motivated by recent scanning tunneling microscopy experiments on chains of Co adatoms on Cu surfaces, we investigate the physics of a spin-3/23/23/2 Heisenberg chain with single-ion anisotropy (DDD) on metallic and semi-metallic surfaces. In the strong Kondo coupling (JkJ_kJk​) limit, a perturbative analysis maps the system onto a Haldane spin-1 chain with single-ion anisotropy, ferromagnetically coupled to the metallic surface. This Haldane state, arising from underscreening of the S=3/2S=3/2S=3/2 chain, is stable against small DDD and characterized by topological edge modes. The nature of the DDD-driven transitions out of this state depends on the environment. Coupling to a metal (semi-metal) is a relevant (irrelevant) perturbation at the decoupled fixed point between the spin-1 chain and the two-dimensional electron gas. In the large positive DDD limit, the system maps onto an anisotropic spin-1/21/21/2 Kondo system. For large negative DDD, in the Ising phase, spins are frozen. For small JkJ_kJk​, the nature of the metallic phase dominates. On a two-dimensional semi-metal, the Kondo coupling is irrelevant at the decoupled fixed point (Jk=0J_k= 0Jk​=0), leading to a Kondo breakdown phase at weak coupling, irrespective of DDD. In contrast, on a two-dimensional metal, the resulting dissipative Ohmic bath is a marginally relevant perturbation, inducing antiferromagnetic ordering along the chain. In this case, DDD drives a spin-flop transition between Ising and XY ordered phases. At D=0D=0D=0, we observe continuous transitions between the Kondo breakdown or dissipation-induced long-range ordered phases and the underscreened Haldane phase. These phase diagrams are supported by scaling arguments and sign-free auxiliary-field quantum Monte Carlo simulations.
We map out the ground-state phase diagram of a one-dimensional SU(N)\mathrm{SU}(N)SU(N) Kondo-Heisenberg lattice model at half-filling and in the fully antisymmetric self-adjoint representation as a function of 1N\frac{1}{N}N1​ and Kondo coupling Jk/t{J}_{k}/tJk​/t. On the basis of auxiliary field quantum Monte Carlo (QMC) simulations with even NNN up to 8, we show that the enlarged $\mathrm{SU}(N\ensuremath{\ge}4$) symmetry realizes a quantum phase transition separating a valence bond solid (VBS) phase occupying a weak-coupling part of the phase diagram and the Kondo insulator (KI) state dominating in the strong Jk/t{J}_{k}/tJk​/t limit. Along the phase boundary, we always observe critical exponents that belong to a two-dimensional classical Ising universality class. We next trace the evolution of the composite fermion and spin spectral functions across the phase boundary and conclude that VBS order triggers a bond order wave state of conduction electrons, both coexisting with Kondo screening. Upon further reducing Jk/t{J}_{k}/tJk​/t, we observe that composite quasiparticles lose their spectral weight indicating that VBS order gradually liberates localized fff spins from forming Kondo singlets with conduction electron spins. We contrast the QMC results with a static large-NNN approximation, and we show that in the limit of infinite degeneracy $N\ensuremath{\rightarrow}\ensuremath{\infty}$ the order-disorder transition becomes of first order and is accompanied by a full decoupling of conduction electrons and localized fff spins. We complete our analysis by considering the limit of a vanishing Heisenberg coupling Jh=0{J}_{h}=0Jh​=0, and we provide evidence that the enlarged SU(N)\mathrm{SU}(N)SU(N) symmetry and low dimensionality of the Ruderman-Kittel-Kasuya-Yosida exchange interaction are not sufficient to induce VBS order in the conventional SU(N)\mathrm{SU}(N)SU(N) Kondo chain, which hosts solely a KI phase. Finally, we quantify the role of increasing NNN in reducing the separation of charge and spin timescales specific to the KI state, and we show that the latter is adiabatically connected to a trivial band insulator captured by the large-NNN approximation.
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