2024 New's Items

Candidate quantum spin liquids on the maple-leaf lattice

Sonnenschein J
Maity A
Liu C
Thomale R
Ferrari F
Iqbal Y
2024

Motivated by recent numerical studies reporting putative quantum paramagnetic behavior in spin-1/2 Heisenberg models on the maple-leaf lattice, we classify Abrikosov fermion mean-field Ansätze of fully symmetric U(1) and ℤ2 quantum spin liquids within the framework of projective symmetry groups. We obtain a total of 17⁢U⁡(1) and 12ℤ2 algebraic PSGs, and, upon restricting their realization via mean-field Ansätze with nearest-neighbor amplitudes (relevant to the studied models), only 12 U(1) and 8 ℤ2...

Probing Postmeasurement Entanglement without Postselection

Garratt SJ
Altman E
2024

We study the problem of observing quantum collective phenomena emerging from large numbers of measurements. These phenomena are difficult to observe in conventional experiments because, in order to distinguish the effects of measurement from dephasing, it is necessary to postselect on sets of measurement outcomes with Born probabilities that are exponentially small in the number of measurements performed. An unconventional approach, which avoids this exponential “postselection problem”, is to construct cross-correlations between experimental data and the results of simulations on classical...

Complex magnetic and spatial symmetry breaking from correlations in kagome flat bands

Lin Y-P
Liu C
Moore JE
2024

We present the mean-field phase diagram of electrons in a kagome flat band with repulsive interactions. In addition to flat-band ferromagnetism, the Hartree-Fock analysis yields cascades of unconventional magnetic orders driven by on-site repulsion as filling changes. These include a series of antiferromagnetic (AFM) spin-charge stripe orders, as well as an evolution from 120∘ AFM to intriguing noncoplanar spin orders with tetrahedral structures. We also map out the phase diagram under extended repulsion at half and empty fillings of the flat band. To examine the possibilities beyond the...

Power-Law Entanglement and Hilbert Space Fragmentation in Nonreciprocal Quantum Circuits

Klocke K
Moore JE
Buchhold M
2024

Quantum circuits utilizing measurement to evolve a quantum wave function offer a new and rich playground to engineer unconventional entanglement dynamics. Here, we introduce a hybrid, nonreciprocal setup featuring a quantum circuit, whose updates are conditioned on the state of a classical dynamical agent. In our example the circuit is represented by a Majorana quantum chain controlled by a classical N-state Potts chain undergoing pair flips. The local orientation of the classical spins controls whether randomly drawn local measurements on the quantum chain are allowed or not. This imposes...

Ultrafast optical control of charge orders in kagome metals

Lin Y-P
Madhavan V
Moore JE
2024
We show that ultrafast optical pump pulses provide effective control over charge orders in the kagome metals AV3Sb5 with A= K, Rb, and Cs...

Evaluation of transition rates from nonequilibrium instantons

Heller ER
Limmer DT
2024

Equilibrium rate theories play a crucial role in understanding rare, reactive events. However, they are inapplicable to a range of irreversible processes in systems driven far from thermodynamic equilibrium like active and biological matter. Here we develop an efficient numerical method to compute the rate constant of rare nonequilibrium events in the weak-noise limit based on an instanton approximation to the stochastic path integral and illustrate its wide range of application. We demonstrate excellent agreement of the instanton rates with numerically exact results for a particle...

Microscopic Origin of Twist-Dependent Electron Transfer Rate in Bilayer Graphene

Escalante LC
Limmer DT
2024

Using molecular simulation and continuum dielectric theory, we consider how electrochemical kinetics are modulated by the twist angle in bilayer graphene electrodes. By establishing a connection between the twist angle and the screening length of charge carriers within the electrode, we investigate how tunable metallicity modifies the statistics of the electron transfer energy gap. Constant potential molecular simulations show that the activation free energy for electron transfer increases with screening length, leading to a non-monotonic dependence on the twist angle. The twist angle...

Elucidating the Mechanism of Helium Evaporation from Liquid Water

Polley K
Wilson KR
Limmer DT
2024

We investigate the evaporation of trace amounts of helium solvated in liquid water using molecular dynamics simulations and theory. Consistent with experimental observations, we find a super-Maxwellian distribution of kinetic energies of evaporated helium. This excess of kinetic energy over typical thermal expectations is explained by an effective continuum theory of evaporation based on a Fokker–Planck equation, parametrized molecularly by a potential of mean force and position-dependent friction. Using this description, we find that helium evaporation is strongly influenced by the...

Splitting probabilities as optimal controllers of rare reactive events

Singh AN
Limmer DT
2024

The committor constitutes the primary quantity of interest within chemical kinetics as it is understood to encode the ideal reaction coordinate for a rare reactive event. We show the generative utility of the committor in that it can be used explicitly to produce a reactive trajectory ensemble that exhibits numerically exact statistics as that of the original transition path ensemble. This is done by relating a time-dependent analog of the committor that solves a generalized bridge problem to the splitting probability that solves a boundary value problem under a bistable assumption....

Enhanced ClNO2 Formation at the Interface of Sea-Salt Aerosol

Moon S
Limmer DT
2024

The reactive uptake of N2O5 on sea-spray aerosol plays a key role in regulating the NOx concentration in the troposphere. Despite numerous field and laboratory studies, a microscopic understanding of its heterogeneous reactivity remains unclear. Here, we use molecular simulation and theory to elucidate the chlorination of N2O5 to form ClNO2, the primary reactive channel within sea-spray aerosol. We find that the formation of ClNO2 is markedly enhanced at the air–water interface due to the...