Broken Symmetry Ground States Research Articles

Efficient ground state preparation in variational quantum eigensolver with symmetry-breaking layers

A variational quantum eigensolver (VQE) solves the ground state problem of a given Hamiltonian by finding the parameters of a quantum circuit Ansatz that minimizes the Hamiltonian expectation value. Among possible quantum circuit Ansätze, the Hamiltonian variational Ansatz (HVA) is widely studied for quantum many-body problems as the Ansatz with sufficiently large depth is theoretically guaranteed to express the ground state. However, since the HVA shares the same symmetry with the Hamiltonian, it is not necessarily good at finding symmetry-broken ground states that prevail in nature. In this paper, we systematically explore the limitations of the HVA for solving symmetry-broken systems and propose an alternative quantum circuit Ansatz with symmetry-breaking layers. With extensive numerical simulations, we show that the proposed Ansatz finds the ground state in depth significantly shorter than the bare HVA when the target Hamiltonian has symmetry-broken ground states.

Resistivity Tensor of Vortex-Lattice States in Josephson Junction Arrays.

Two-dimensional Josephson junction arrays frustrated by a perpendicular magnetic field are predicted to form a cascade of distinct vortex lattice states. Here, we show that the resistivity tensor provides both structural and dynamical information on the vortex-lattice states and intervening phase transitions, which allows for experimental identification of these symmetry-breaking ground states. We illustrate our general approach by a microscopic theory of the resistivity tensor for a range of magnetic fields exhibiting a rich set of vortex lattices as well as transitions to liquid-crystalline vortex states.

Simulating scalar field theories on quantum computers with limited resources

We present a quantum algorithm for implementing $\phi^4$ lattice scalar field theory on qubit computers. The field is represented in the discretized field amplitude basis. The number of qubits and elementary gates required by the implementation of the evolution operator is proportional to the lattice size. The algorithm allows efficient $\phi^4$ state preparation for a large range of input parameters in both the normal and broken-symmetry phases. The states are prepared using a combination of variational and adiabatic evolution methods. First, the ground state of a local Hamiltonian, which includes the $\phi^4$ self-interaction, is prepared using short variational circuits. Next, this state is evolved by switching on the coupling between the lattice sites adiabatically. The parameters defining the local Hamiltonian are adjustable and constitute the input of our algorithm. We present a method to optimize these parameters in order to reduce the adiabatic time required for state preparation. For preparing broken-symmetry states, the adiabatic evolution problems caused by crossing the phase transition critical line and by the degeneracy of the broken-symmetry ground state can be addressed using an auxiliary external field which gradually turns off during the adiabatic process. We show that the time dependence of the external field during the adiabatic evolution is important for addressing the broken-symmetry ground state degeneracy. The adiabatic time dependence on the inverse error tolerance can be reduced from quadratic to linear by using a field strength that decreases exponentially in time relative to one that decreases linearly.

Superconductivity from repulsion in the doped 2D electronic Hubbard model: an entanglement perspective

We employ the momentum space entanglement renormalization group (MERG) scheme developed in references (Mukherjee et al 2021 J. High Energy Phys. JHEP04(2021)148; Patra and Lal 2021 Phys. Rev. B 104 144514) for the study of various insulating, superconducting and normal phases of the doped and the undoped 2D Hubbard model on a square lattice found recently by us (Mukherjee and Lal 2020 New J. Phys. 22 063007; Mukherjee and Lal 2020 New J. Phys. 22 063008). At each MERG step, disentanglement of particular degrees of freedom, transforms the tensor network representation of the many-particle states. The MERG reveals distinct holographic entanglement features for the normal metallic, topologically ordered insulating quantum liquid and Neél antiferromagnetic symmetry-broken ground states of the 2D Hubbard model at half-filling, clarifying the essence of the entanglement phase transitions that separates the three phases. An MERG analysis of the quantum critical point of the hole-doped 2D Hubbard model reveals the evolution of the many-particle entanglement of the quantum liquid ground state with hole-doping, as well as how the collapse of Mottness is concomitant with the emergence of d-wave superconductivity.

Instabilities of spin-1 Kitaev spin liquid phase in presence of single-ion anisotropies

We study the spin-one Kitaev model on the honeycomb lattice in the presence of single-ion anisotropies. We consider two types of single ion anisotropies: A ${D}_{111}$ anisotropy which preserves the symmetry between $X, Y$, and $Z$ bonds but violates flux conservation and a ${D}_{100}$ anisotropy that breaks the symmetry between $X, Y$, and $Z$ bonds but preserves flux conservation. We use series expansion methods, degenerate perturbation theory, and exact diagonalization to study these systems. Large positive ${D}_{111}$ anisotropy leads to a simple product ground state with conventional magnonlike excitations, while large negative ${D}_{111}$ leads to a broken symmetry and degenerate ground states. For both signs there is a phase transition at a small $|{D}_{111}|\ensuremath{\approx}0.12$ separating the more conventional phases from the Kitaev spin liquid phase. With large ${D}_{100}$ anisotropy, the ground state is a simple product state, but the model lacks conventional dispersive excitations due to the large number of conservation laws. Large negative ${D}_{100}$ leads to decoupled one-dimensional systems and many degenerate ground states. No evidence of a phase transition is seen in our numerical studies at any finite ${D}_{100}$. Convergence of the series expansion extrapolations all the way to ${D}_{100}=0$ suggests that the nontrivial Kitaev spin liquid is a singular limit of this type of single-ion anisotropy going to zero, which also restores symmetry between the $X, Y$, and $Z$ bonds.

Interaction range and temperature dependence of symmetry breaking in strongly correlated two-dimensional moiré transition metal dichalcogenide bilayers

We theoretically consider two-dimensional moir\'e transition metal dichalcogenide (TMD) bilayers, which are strongly correlated in the sense that the on-site Coulomb interaction is comparable to or larger than the hopping kinetic energy between the moir\'e lattice sites. The system accommodates many symmetry-broken ground states both in charge and isospin sectors at various commensurate rational fillings such as 1/2, 1/3, 1/4, 2/3, etc. We investigate two complementary important aspects of the dependence of the symmetry breaking on (1) the range of the electron-electron interaction, which can in principle be experimentally controlled by the nearby gates and the dielectric environment, and (2) temperature, which could thermally suppress the symmetry breaking above a critical temperature. Experimental implications of the theory are discussed.

Broken-Symmetry Ground States of the Heisenberg Model on the Pyrochlore Lattice

The spin-1/2 Heisenberg model on the pyrochlore lattice is an iconic frustrated three-dimensional spin system with a rich phase diagram. Besides hosting several ordered phases, the model is debated to possess a spin-liquid ground state when only nearest-neighbor antiferromagnetic interactions are present. Here, we contest this hypothesis with an extensive numerical investigation using both exact diagonalization and complementary variational techniques. Specifically, we employ a RVB-like many-variable Monte Carlo ansatz and convolutional neural network quantum states for (variational) calculations with up to $4\times 4^3$ and $4 \times 3^3$ spins, respectively. We demonstrate that these techniques yield consistent results, allowing for reliable extrapolations to the thermodynamic limit. Our main results are (1) the determination of the phase transition between the putative spin-liquid phase and the neighboring magnetically ordered phase and (2) a careful characterization of the ground state in terms of symmetry-breaking tendencies. We find clear indications of spontaneously broken inversion and rotational symmetry, calling the scenario of a featureless quantum spin-liquid into question. Our work showcases how many-variable variational techniques can be used to make progress in answering challenging questions about three-dimensional frustrated quantum magnets.

Stripe phases in WSe2/WS2 moiré superlattices.

Stripe phases, in which the rotational symmetry of charge density is spontaneously broken, occur in many strongly correlated systems with competing interactions1-11. However, identifying and studying such stripe phases remains challenging. Here we uncover stripe phases in WSe2/WS2 moiré superlattices by combining optical anisotropy and electronic compressibility measurements. We find strong electronic anisotropy over a large doping range peaked at 1/2 filling of the moiré superlattice. The 1/2 state is incompressible and assigned to an insulating stripe crystal phase. Wide-field imaging reveals domain configurations with a preferential alignment along the high-symmetry axes of the moiré superlattice. Away from 1/2 filling, we observe additional stripe crystals at commensurate filling 1/4, 2/5 and 3/5, and compressible electronic liquid crystal states at incommensurate fillings. Our results demonstrate that two-dimensional semiconductor moiré superlattices are a highly tunable platform from which to study the stripe phases and their interplay with other symmetry breaking ground states.

Half-magnetization plateau and the origin of threefold symmetry breaking in an electrically switchable triangular antiferromagnet

We perform high-field magnetization measurements on the triangular lattice antiferromagnet Fe$_{1/3}$NbS$_2$. We observe a plateau in the magnetization centered at approximately half the saturation magnetization over a wide range of temperature and magnetic field. From density functional theory calculations, we determine a likely set of magnetic exchange constants. Incorporating these constants into a minimal Hamiltonian model of our material, we find that the plateau and of the $Z_3$ symmetry breaking ground state both arise from interplane and intraplane antiferromagnetic interactions acting in competition. These findings are pertinent to the magneto-electric properties of Fe$_{1/3}$NbS$_2$, which allow electrical switching of antiferromagnetic textures at relatively low current densities.

Doublon bottleneck in the ultrafast relaxation dynamics of hot electrons in 1T−TaS2

Employing time-resolved photoelectron spectroscopy we analyze the relaxation dynamics of hot electrons in the charge density wave / Mott material 1T-TaS_2. At 1.2 eV above the Fermi level we observe a hot electron lifetime of 12 +- 5 fs in the metallic state and of 60 +- 10 fs in the broken symmetry ground state - a direct consequence of the reduced phase space for electron-electron scattering determined by the Mott gap. Boltzmann equation calculations which account for the interaction of hot electrons in a Bloch band with a doublon-holon excitation in the Mott state provide insight into the unoccupied electronic structure in the correlated state.

Chiral spin liquids with crystalline Z2 gauge order in a three-dimensional Kitaev model

Chiral spin liquids (CSLs) are time-reversal symmetry breaking ground states of frustrated quantum magnets that show no long-range magnetic ordering, but instead exhibit topological order and fractional excitations. Their realization in simple and tractable microscopic models has, however, remained an open challenge for almost two decades until it was realized that Kitaev models on lattices with odd-length loops are natural hosts for such states, even in the absence of a time-reversal symmetry breaking magnetic field. Here we report on the formation of CSLs in a three-dimensional Kitaev model, which differ from their widely studied two-dimensional counterparts, namely, they exhibit a crystalline ordering of the $\mathbb{Z}_2$ gauge fluxes and thereby break some of the underlying lattice symmetries. We study the formation of these unconventional CSLs via extensive quantum Monte Carlo simulations and demonstrate that they are separated from the featureless paramagnet at high temperatures by a single first-order transition at which both time-reversal and lattice symmetries are simultaneously broken. Using variational approaches for the ground state, we explore the effect of varying the Kitaev couplings and find at least five distinct CSL phases, all of which possess crystalline ordering of the $\mathbb{Z}_2$ gauge fluxes. For some of these phases, the complementary itinerant Majorana fermions exhibit gapless band structures with topological features such as Weyl nodes or nodal lines in the bulk and Fermi arc or drumhead surface states.

Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene.

Density functional theory calculations play a central role in understanding chemical and solid-state systems. Progress depends on density functionals that accurately reproduce both energies, for thermochemistry, and properly describe ground states and other properties that are of interest. The Cr dimer, benzene and graphene are particularly important benchmark systems for quantum chemistry and condensed matter physics. The Strongly Constrained and Appropriately Normed (SCAN) functional, which is an advanced meta-generalized gradient approximation functional that significantly improves molecular energies is shown to perform poorly for the Cr dimer. This is connected with its poor performance for itinerant solid-state magnets and is a consequence of over localization of electrons, thus illustrating an analogy between the Cr dimer and itinerant magnets. The Cr dimer is a notoriously difficult system for density functionals. However, we additionally find that SCAN predicts an incorrect symmetry broken ground state for 2D graphene and for the benzene molecule, which is surprising considering that ground states of these are known to be well described even by the simplest local density approximation. We show that SCAN overly favors localized spin polarized states, which is a serious deficiency of this approach. Thus, the challenge of finding density functionals that accurately treat both localized and delocalized electronic systems remains.

Electrically Tunable Flat Bands and Magnetism in Twisted Bilayer Graphene.

Twisted graphene bilayers provide a versatile platform to engineer metamaterials with novel emergent properties by exploiting the resulting geometric moiré superlattice. Such superlattices are known to host bulk valley currents at tiny angles (α≈0.3°) and flat bands at magic angles (α≈1°). We show that tuning the twist angle to α^{*}≈0.8° generates flat bands away from charge neutrality with a triangular superlattice periodicity. When doped with ±6 electrons per moiré cell, these bands are half-filled and electronic interactions produce a symmetry-broken ground state (Stoner instability) with spin-polarized regions that order ferromagnetically. Application of an interlayer electric field breaks inversion symmetry and introduces valley-dependent dispersion that quenches the magnetic order. With these results, we propose a solid-state platform that realizes electrically tunable strong correlations.

Charge Density Wave Melting in One-Dimensional Wires with Femtosecond Subgap Excitation

Charge density waves (CDWs) are symmetry-broken ground states that commonly occur in low-dimensional metals due to strong electron-electron and/or electron-phonon coupling. The nonequilibrium carrier distribution established via photodoping with femtosecond laser pulses readily quenches these ground states and induces an ultrafast insulator-to-metal phase transition. To date, CDW melting has been mainly investigated in the single-photon regime with pump photon energies bigger than the gap size. The recent development of strong-field midinfrared sources now enables the investigation of CDW dynamics following subgap excitation. Here we excite prototypical one-dimensional indium wires with a CDW gap of ∼300 meV with midinfrared pulses at ℏω=190 meV with MV/cm field strength and probe the transient electronic structure with time- and angle-resolved photoemission spectroscopy. We find that the CDW gap is filled on a timescale short compared to our temporal resolution of 300fs and that the band structure changes are completed within ∼1 ps. Supported by a minimal theoretical model we attribute our findings to multiphoton absorption across the CDW gap.

Fate of a strongly correlated d -wave superconductor in a Zeeman field: The Fulde-Ferrel-Larkin-Ovchinnikov perspective

The Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phase is an unconventional superconducting state found under the influence of strong Zeeman field. This phase is identified by finite center-of-mass momenta in the Cooper pairs, causing the pairing amplitude to oscillate in real space. Repulsive correlations, on the other hand, smear out spatial inhomogeneities in d-wave superconductors. We investigate the FFLO state in a strongly correlated d-wave superconductor within a consolidated framework of Hartree-Fock-Bogoliubov theory and Gutzwiller approximation. We find that the profound effects of strong correlations lie in shifting the BCS-FFLO phase boundary towards a lower Zeeman field and thereby enlarging the window of the FFLO phase. In the FFLO state, our calculation features a sharp mid-gap peak in the density of states, indicating the formation of strongly localized Andreev bound states. We also find that the signatures of the FFLO phase survive even in the presence of an additional translational symmetry breaking competing order in the ground state. This is demonstrated by considering a broken symmetry ground state with a simultaneous presence of the d-wave superconducting order and a spin-density wave order, often found in unconventional superconductors.

Pair-delocalization in trigonal mixed-valence clusters: new insight into the vibronic origin of broken-symmetry ground states.

A new vibronic mechanism for the stabilization of pair-delocalized electronic states in trigonal trimeric mixed valence complexes (such as iron-sulfur [Fe3S4]0 proteins) is proposed. Unlike the previously reported mechanism based on the Piepho-Krausz-Schatz model dealing with the local "breathing" vibrations, the present mechanism involves the multicenter vibrations of the triangular complex, which change the metal-metal distances. The former mechanism of the vibronic coupling in combination with the double exchange and Heisenberg type exchange (superexchange) interactions accounts for the existence of the pair-delocalized states of many-electron mixed valence clusters in the intermediate ground spin states. In contrast to the previous model, within which the conditions for the occurrence of pair delocalized states are spin-dependent, the pair delocalization phenomenon in the proposed model is exclusively based on a clear physical mechanism of the interplay between the inter-center vibronic coupling and electron transfer. Therefore, the proposed mechanism demonstrates that the pair delocalization is a more common feature of mixed valence complexes and can appear not only in multi-electron trimers as a result of the interplay between several parameters, but even in one-electron mixed valence trimers in which neither double exchange nor superexchange is operative. The conditions for the pair delocalization in the proposed model are shown to be dependent on the value and sign of the electron transfer parameter as well as on the ratio of the frequencies of the fully symmetric (a1) and doubly degenerate (e) vibrations of a triatomic molecule.

Evidence for topological defects in a photoinduced phase transition

Upon excitation with an intense ultrafast laser pulse, a symmetry-broken ground state can undergo a non-equilibrium phase transition through pathways dissimilar from those in thermal equilibrium. Determining the mechanism underlying these photo-induced phase transitions (PIPTs) has been a long-standing issue in the study of condensed matter systems. To this end, we investigate the light-induced melting of a unidirectional charge density wave (CDW) material, LaTe$_3$. Using a suite of time-resolved probes, we independently track the amplitude and phase dynamics of the CDW. We find that a quick ($\sim\,$1$\,$ps) recovery of the CDW amplitude is followed by a slower reestablishment of phase coherence. This longer timescale is dictated by the presence of topological defects: long-range order (LRO) is inhibited and is only restored when the defects annihilate. Our results provide a framework for understanding other PIPTs by identifying the generation of defects as a governing mechanism.

Defects in Quantum Computers

The shift of interest from general purpose quantum computers to adiabatic quantum computing or quantum annealing calls for a broadly applicable and easy to implement test to assess how quantum or adiabatic is a specific hardware. Here we propose such a test based on an exactly solvable many body system–the quantum Ising chain in transverse field–and implement it on the D-Wave machine. An ideal adiabatic quench of the quantum Ising chain should lead to an ordered broken symmetry ground state with all spins aligned in the same direction. An actual quench can be imperfect due to decoherence, noise, flaws in the implemented Hamiltonian, or simply too fast to be adiabatic. Imperfections result in topological defects: Spins change orientation, kinks punctuating ordered sections of the chain. The number of such defects quantifies the extent by which the quantum computer misses the ground state, and is, therefore, imperfect.

Striped magnetic ground state of the kagome lattice in Fe4Si2Sn7O16

We have experimentally identified a new magnetic ground state for the kagome lattice, in the perfectly hexagonal Fe2+ (3d6, S = 2) compound Fe4Si2Sn7O16. Representational symmetry analysis of neutron diffraction data shows that below T_N = 3.5 K, the spins on 2/3 of the magnetic ions order into canted antiferromagnetic chains, separated by the remaining 1/3 which are geometrically frustrated and show no long-range order down to at least T = 0.1 K. Moessbauer spectroscopy confirms that there is no static order on the latter 1/3 of the magnetic ions - i.e., they are in a liquid-like rather than a frozen state - down to at least 1.65 K. A heavily Mn-doped sample Fe1.45Mn2.55Si2Sn7O16 has the same magnetic structure. Although the propagation vector q = (0, 1/2 , 1/2 ) breaks hexagonal symmetry, we see no evidence for magnetostriction in the form of a lattice distortion within the resolution of our data. We discuss the relationship to partially frustrated magnetic order on the pyrochlore lattice of Gd2Ti2O7, and to theoretical models that predict symmetry breaking ground states for perfect kagome lattices.

Anomalous relaxation kinetics and charge-density-wave correlations in underdoped BaPb1−xBixO3

Superconductivity often emerges in proximity of other symmetry-breaking ground states, such as antiferromagnetism or charge-density-wave (CDW) order. However, the subtle interrelation of these phases remains poorly understood, and in some cases even the existence of short-range correlations for superconducting compositions is uncertain. In such circumstances, ultrafast experiments can provide new insights by tracking the relaxation kinetics following excitation at frequencies related to the broken-symmetry state. Here, we investigate the transient terahertz conductivity of BaPb1-x Bi x O3--a material for which superconductivity is "adjacent" to a competing CDW phase--after optical excitation tuned to the CDW absorption band. In insulating BaBiO3 we observed an increase in conductivity and a subsequent relaxation, which are consistent with quasiparticles injection across a rigid semiconducting gap. In the doped compound BaPb0.72Bi0.28O3 (superconducting below TC = 7 K), a similar response was also found immediately above TC This observation evidences the presence of a robust gap up to T [Formula: see text] 40 K, which is presumably associated with short-range CDW correlations. A qualitatively different behavior was observed in the same material for [Formula: see text] 40 K. Here, the photoconductivity was dominated by an enhancement in carrier mobility at constant density, suggestive of melting of the CDW correlations rather than excitation across an optical gap. The relaxation displayed a temperature-dependent, Arrhenius-like kinetics, suggestive of the crossing of a free-energy barrier between two phases. These results support the existence of short-range CDW correlations above TC in underdoped BaPb1-x Bi x O3, and provide information on the dynamical interplay between superconductivity and charge order.