arXiv subjects

J. -X. Zhu

Publications and source records attributed to J. -X. Zhu.

At least 19 recordsLinked to original sources

arXiv2026

Atomistic Modeling for Electro-chemical Reactions

Computational modeling plays a central role in advancing our understanding of electro-chemical reactions and may thus guide the rational development of sustainable energy technologies. Despite significant methodological progress, achieving predictive and quantitatively reliable simulations of electrified solid-liquid interfaces under operando conditions remains a major challenge. Recently, the European COST Action EU-CONCERT (EUropean COllaborative Network on electroCatalysis for Efficient Renewable Technologies) was launched with the aim of advancing atomistic modeling of electrochemical reactions through systematic benchmarking and cross-validation. This position paper outlines the consortium's view of the current state of the art, identifies the priority methodological challenges to be addressed, and defines the benchmark tests that are urgently needed. This paper should serve as a guide to the community and a roadmap for the EU-CONCERT COST Action.

physics.chem-ph↗

arXiv2025

Reentrant Landau Levels in a Dirac topological insulator

The quantum limit, where magnetic fields confine carriers to the lowest Landau level, is predicted to host exotic quantum phases arising from strengthened electronic correlations, reduced dimensionality, and increased degeneracy. We report a novel quantization regime realized in the ultra-quantum limit of the narrow-gap Dirac insulator ZrTe5, marked by anomalous magnetoresistance oscillations. These oscillations, measured in ZrTe5 single crystals down to 700 mK and up to 60 T, are distinctly non-1/B periodic and persist for magnetic fields well beyond the quantum limit. In this regime, the competition between Zeeman and cyclotron energies drives a nonlinear evolution and back-bending of Landau levels, causing low-index levels to re-cross the Fermi energy at high fields. This mechanism departs from the standard Lifshitz-Kosevich description and provides a framework to describe how the electronic structure in topological Dirac insulators evolves beyond the quantum limit.

cond-mat.other↗

arXiv2025

SPLENDOR: a novel detector platform to search for light dark matter with narrow-gap semiconductors

We present the design and current status of SPLENDOR, a novel detector platform that combines narrow-gap semiconductor targets with low-noise charge readout to achieve sensitivity to dark matter energy deposits well below the eV scale. SPLENDOR is designed to be a modular and scalable system able to accommodate different target materials and signal readout technologies. SPLENDOR's present strategy entails: (i) the use of strongly correlated f-electron semiconductors with anisotropic electronic structures to enable not only sub-eV energy thresholds, but also directional sensitivity to the incoming dark matter flux, allowing for signal-background discrimination via daily modulation, and (ii) custom charge readout based on cryogenic high-electron-mobility transistor (cryoHEMT) amplifiers approaching single-electron resolution. We report on the selection and characterization of Eu$_5$In$_2$Sb$_6$ as the target material for SPLENDOR's first prototype detector, as well as the development and calibration of the prototype amplifier chain, achieving a measured charge resolution of 20$\pm$7 electrons in silicon test samples, consistent with predicted performance. This provides a demonstration of the detector architecture, which is now ready for deployment in a dark matter search campaign to deliver SPLENDOR's first science results. Finally, we present estimates of sensitivity reach in the parameter space of athermally produced relic dark matter under high- and low-background environments, and for various amplifier technology upgrades with increasing performance, including planned quantum sensing upgrades in order to achieve our ultimate goal of sub-electron resolution in optimized systems. SPLENDOR provides a novel approach to dark matter direct detection, combining quantum sensing with material's design to open new avenues of exploration in the sub-MeV mass range of dark matter parameter space.

physics.ins-det↗

arXiv2022

Kondo quasiparticle dynamics observed by resonant inelastic x-ray scattering

Effective models focused on pertinent low-energy degrees of freedom have substantially contributed to our qualitative understanding of quantum materials. An iconic example, the Kondo model, was key to demonstrating that the rich phase diagrams of correlated metals originate from the interplay of localized and itinerant electrons. Modern electronic structure calculations suggest that to achieve quantitative material-specific models, accurate consideration of the crystal field and spin-orbit interactions is imperative. This poses the question of how local high-energy degrees of freedom become incorporated into a collective electronic state. Here, we use resonant inelastic x-ray scattering (RIXS) on CePd$_3$ to clarify the fate of all relevant energy scales. We find that even spin-orbit excited states acquire pronounced momentum-dependence at low temperature - the telltale sign of hybridization with the underlying metallic state. Our results demonstrate how localized electronic degrees of freedom endow correlated metals with new properties, which is critical for a microscopic understanding of superconducting, electronic nematic, and topological states.

cond-mat.str-el↗

arXiv2022

Colossal piezoresistance in narrow-gap Eu5In2Sb6

Piezoresistance, the change of a material's electrical resistance ($R$) in response to an applied mechanical stress ($σ$), is the driving principle of electromechanical devices such as strain gauges, accelerometers, and cantilever force sensors. Enhanced piezoresistance has been traditionally observed in two classes of uncorrelated materials: nonmagnetic semiconductors and composite structures. We report the discovery of a remarkably large piezoresistance in Eu$_5$In$_2$Sb$_6$ single crystals, wherein anisotropic metallic clusters naturally form within a semiconducting matrix due to electronic interactions. Eu$_5$In$_2$Sb$_6$ shows a highly anisotropic piezoresistance, and uniaxial pressure along [001] of only 0.4~GPa leads to a resistivity drop of more than 99.95\% that results in a colossal piezoresistance factor of $5000\times10^{-11}$Pa$^{-1}$. Our result not only reveals the role of interactions and phase separation in the realization of colossal piezoresistance, but it also highlights a novel route to multi-functional devices with large responses to both pressure and magnetic field.

cond-mat.str-el↗

arXiv2021

Photocurrent-driven transient symmetry breaking in the Weyl semimetal TaAs

Symmetry plays a central role in conventional and topological phases of matter, making the ability to optically drive symmetry change a critical step in developing future technologies that rely on such control. Topological materials, like the newly discovered topological semimetals, are particularly sensitive to a breaking or restoring of time-reversal and crystalline symmetries, which affect both bulk and surface electronic states. While previous studies have focused on controlling symmetry via coupling to the crystal lattice, we demonstrate here an all-electronic mechanism based on photocurrent generation. Using second-harmonic generation spectroscopy as a sensitive probe of symmetry change, we observe an ultrafast breaking of time-reversal and spatial symmetries following femtosecond optical excitation in the prototypical type-I Weyl semimetal TaAs. Our results show that optically driven photocurrents can be tailored to explicitly break electronic symmetry in a generic fashion, opening up the possibility of driving phase transitions between symmetry-protected states on ultrafast time scales.

cond-mat.mtrl-sci↗

arXiv2020

Coherent Helicity-Dependent Spin-Phonon Oscillations in the Ferromagnetic van der Waals Crystal CrI3

The discovery of two-dimensional (2D) systems hosting intrinsic long-range magnetic order represents a seminal addition to the rich physical landscape of van der Waals (vdW) materials. CrI3 has emerged as perhaps the most salient example, as the interdependence of crystalline structure and magnetic order, along with strong light-matter interactions provides a promising platform to explore the optical control of magnetic, vibrational, and charge degrees of freedom at the 2D limit. However, the fundamental question of how this relationship between structure and magnetism manifests on their intrinsic timescales has rarely been explored. Here, we use ultrafast optical spectroscopy to probe magnetic and vibrational dynamics in CrI3, revealing demagnetization dynamics governed by spin-flip scattering and remarkably, a strong transient exchange-mediated interaction between lattice vibrations and spin oscillations. The latter yields a coherent spin-coupled phonon mode that is highly sensitive to the helicity of the driving pulse in the magnetically ordered phase. Our results shed light on the nature of spin-lattice coupling in vdW magnets on ultrafast timescales and highlight their potential for applications requiring non-thermal, high-speed control of magnetism at the nanoscale.

cond-mat.mtrl-sci↗

arXiv2020

Electronic and magnetic properties of stoichiometric CeAuBi$_{2}$

We report the electronic and magnetic properties of stoichiometric CeAuBi$_{2}$ single crystals. At ambient pressure, CeAuBi$_{2}$ orders antiferromagnetically below a Néel temperature ($T_{N}$) of 19 K. Neutron diffraction experiments revealed an antiferromagnetic propagation vector $\hatτ = [0, 0, 1/2]$, which doubles the paramagnetic unit cell along the $c$-axis. At low temperatures several metamagnetic transitions are induced by the application of fields parallel to the $c$-axis, suggesting that the magnetic structure of CeAuBi$_{2}$ changes as a function of field. At low temperatures, a linear positive magnetoresistance may indicate the presence of band crossings near the Fermi level. Finally, the application of external pressure favors the antiferromagnetic state, indicating that the 4$f$ electrons become more localized.

cond-mat.str-el↗

arXiv2019

Putative hybridization gap in CaMn$_{2}$Bi$_{2}$ under applied pressure

We report electrical transport measurements on CaMn$_{2}$Bi$_{2}$ single crystals under applied pressure. At ambient pressure and high temperatures, CaMn$_{2}$Bi$_{2}$ behaves as a single-band semimetal hosting Néel order at $T_{N}=150$~K. At low temperatures, multi-band behavior emerges along with an activated behavior typical of degenerate semiconductors. The activation gap is estimated to be $Δ\sim 20$~K. Applied pressure not only favors the antiferromagnetic order at a rate of 0.40(2)~K/kbar, but also enhances the activation gap at $20$~kbar by about $70$~\%. This gap enhancement is typical of correlated narrow-gap semiconductors such as FeSi and Ce$_{3}$Bi$_{4}$Pt$_{3}$, and places CaMn$_{2}$Bi$_{2}$ as a Mn-based hybridization-gap semiconductor candidate. \textit{Ab initio} calculations based on the density functional theory are shown to be insufficient to describe the ground state of CaMn$_{2}$Bi$_{2}$.

cond-mat.str-el↗

arXiv2019

Competing Electronic Configurations for PuTe and New Insight on Plutonium Metal

The electronic structure of plutonium metal and its compounds pose a grand challenge for a fundamental understanding of the Pu-5$f$ electron character. For 30 years the plutonium chalcogenides have been especially challenging, and multiple theoretical scenarios have been proposed to explain their unusual behavior. We present extensive high-resolution photoemission data on a single crystal of PuTe, which has also been proposed as a topological insulator. The new experimental results on this mixed-valent material provide a constraint to the theoretical modeling and new dynamical mean-field theory calculations agree with the experimental results. Comparisons with Pu metal provide new insight in understanding its complex electronic structure.

cond-mat.str-el↗

arXiv2019

Measurement of Two Low-Temperature Energy Gaps in the Electronic Structure of Antiferromagnetic USb2 Using Ultrafast Optical Spectroscopy

Ultrafast optical spectroscopy is used to study the antiferromagnetic f-electron system USb2. We observe the opening of two charge gaps at low temperatures (<45 K), arising from renormalization of the electronic structure. Analysis of our data indicates that one gap is due to hybridization between localized f-electron and conduction electron bands, while band renormalization involving magnons leads to the emergence of the second gap. These experiments thus enable us to shed light on the complex electronic structure emerging at the Fermi surface in f-electron systems.

cond-mat.str-el↗

arXiv2019

Dynamic multiferroicity of a ferroelectric quantum critical point

Quantum matter hosts a large variety of phases, some coexisting, some competing; when two or more orders occur together, they are often entangled and cannot be separated. Dynamical multiferroicity, where fluctuations of electric dipoles lead to magnetisation, is an example where the two orders are impossible to disentangle. Here we demonstrate elevated magnetic response of a ferroelectric near the ferroelectric quantum critical point (FE QCP) since magnetic fluctuations are entangled with ferroelectric fluctuations. We thus suggest that any ferroelectric quantum critical point is an \textit{inherent} multiferroic quantum critical point. We calculate the magnetic susceptibility near the FE QCP and find a region with enhanced magnetic signatures that appears near the FE QCP, and controlled by the tuning parameter of the ferroelectric phase. The effect is small but observable - we propose quantum paraelectric strontium titanate as a candidate material where the magnitude of the induced magnetic moments can be $\sim 5 \times 10^{-7} μ_{B}$ per unit cell near the FE QCP.

cond-mat.str-el↗

arXiv2019

Tracking ultrafast photocurrents in the Weyl semimetal TaAs using THz emission spectroscopy

We investigate polarization-dependent ultrafast photocurrents in the Weyl semimetal TaAs using terahertz (THz) emission spectroscopy. Our results reveal that highly directional, transient photocurrents are generated along the non-centrosymmetric c-axis regardless of incident light polarization, while helicity-dependent photocurrents are excited within the ab-plane. This is consistent with earlier static photocurrent experiments, and demonstrates on the basis of both the physical constraints imposed by symmetry and the temporal dynamics intrinsic to current generation and decay that optically induced photocurrents in TaAs are inherent to the underlying crystal symmetry of the transition metal monopnictide family of Weyl semimetals.

cond-mat.str-el↗

arXiv2018

${}^{239}$Pu nuclear magnetic resonance in the candidate topological insulator PuB$_4$

We present a detailed nuclear magnetic resonance (NMR) study of ${}^{239}$Pu in bulk and powdered single-crystal plutonium tetraboride (PuB$_4$), which has recently been investigated as a potential correlated topological insulator. This study constitutes the second-ever observation of the ${}^{239}$Pu NMR signal, and provides unique on-site sensitivity to the rich $f$-electron physics and insight into the bulk gap-like behavior in PuB$_4$. The ${}^{239}$Pu NMR spectra are consistent with axial symmetry of the shift tensor showing for the first time that ${}^{239}$Pu NMR can be observed in an anisotropic environment and up to room temperature. The temperature dependence of the ${}^{239}$Pu shift, combined with a relatively long spin-lattice relaxation time ($T_1$), indicate that PuB$_4$ adopts a non-magnetic state with gap-like behavior consistent with our density functional theory (DFT) calculations. The temperature dependencies of the NMR Knight shift and $T_1^{-1}$--microscopic quantities sensitive only to bulk states--imply bulk gap-like behavior confirming that PuB$_4$ is a good candidate topological insulator. The large contrast between the ${}^{239}$Pu orbital shifts in the ionic insulator PuO$_2$ ($\sim$~+24.7~\%) and PuB$_4$ ($\sim$~-0.5~\%) provides a new tool to investigate the nature of chemical bonding in plutonium materials.

cond-mat.str-el↗

arXiv2018

Band dependent inter-layer $f$-electron hybridization in CeRhIn$_5$

A key issue in heavy fermion research is how subtle changes in the hybridization between the 4$f$ (5$f$) and conduction electrons can result in fundamentally different ground states. CeRhIn$_5$ stands out as a particularly notable example: replacing Rh by either Co or Ir, located above or below Rh in the periodic table, antiferromagnetism gives way to superconductivity. In this photoemission study of CeRhIn$_5$, we demonstrate that the use of resonant ARPES with polarized light allows to extract detailed information on the 4$f$ crystal field states and details on the 4$f$ and conduction electron hybridization which together determine the ground state. We directly observe weakly dispersive Kondo resonances of $f$-electrons and identify two of the three Ce $4f_{5/2}^{1}$ crystal-electric-field levels and band-dependent hybridization, which signals that the hybridization occurs primarily between the Ce $4f$ states in the CeIn$_3$ layer and two more three-dimensional bands composed of the Rh $4d$ and In $5p$ orbitals in the RhIn$_2$ layer. Our results allow to connect the properties observed at elevated temperatures with the unusual low-temperature properties of this enigmatic heavy fermion compound.

cond-mat.str-el↗

arXiv2017

Global phase diagram and quantum spin liquids in spin-1/2 triangular antiferromagnet

We study the spin-$1/2$ Heisenberg model on the triangular lattice with the nearest-neighbor $J_1 > 0$, the next-nearest-neighobr $J_2 > 0$ Heisenberg interactions, and the additional scalar chiral interaction $J_χ(\vec{S}_i \times \vec{S}_j) \cdot \vec{S}_k$ for the three spins in all the triangles using large-scale density matrix renormalization group calculation on cylinder geometry. With increasing $J_2$ ($J_2/J_1 \leq 0.3$) and $J_χ$ ($J_χ/J_1 \leq 1.0$) interactions, we establish a quantum phase diagram with the magnetically ordered $120^{\circ}$ phase, stripe phase, and non-coplanar tetrahedral phase. In between these magnetic order phases, we find a chiral spin liquid (CSL) phase, which is identified as a $ν= 1/2$ bosonic fractional quantum Hall state with possible spontaneous rotational symmetry breaking. By switching on the chiral interaction, we find that the previously identified spin liquid in the $J_1 - J_2$ triangular model ($0.08 \lesssim J_2/J_1 \lesssim 0.15$) shows a phase transition to the CSL phase at very small $J_χ$. We also compute spin triplet gap in both spin liquid phases, and our finite-size results suggest large gap in the odd topological sector but small or vanishing gap in the even sector. We discuss the implications of our results to the nature of the spin liquid phases.

cond-mat.str-el↗

arXiv2016

Temperature-tunable Fano resonance induced by strong coupling between Weyl fermions and phonons in TaAs

Strong coupling between discrete phonon and continuous electron-hole pair excitations can give rise to a pronounced asymmetry in the phonon line shape, known as the Fano resonance. This effect has been observed in a variety of systems, such as stripe-phase nickelates, graphene and high-$T_{c}$ superconductors. Here, we reveal explicit evidence for strong coupling between an infrared-active $A_1$ phonon and electronic transitions near the Weyl points (Weyl fermions) through the observation of a Fano resonance in the recently discovered Weyl semimetal TaAs. The resultant asymmetry in the phonon line shape, conspicuous at low temperatures, diminishes continuously as the temperature increases. This anomalous behavior originates from the suppression of the electronic transitions near the Weyl points due to the decreasing occupation of electronic states below the Fermi level ($E_{F}$) with increasing temperature, as well as Pauli blocking caused by thermally excited electrons above $E_{F}$. Our findings not only elucidate the underlying mechanism governing the tunable Fano resonance, but also open a new route for exploring exotic physical phenomena through the properties of phonons in Weyl semimetals.

cond-mat.str-el↗

arXiv2016

Probing ultrafast spin dynamics in the antiferromagnetic multiferroic HoMnO$_3$ through a magnon resonance

We demonstrate a new approach for directly measuring the ultrafast energy transfer between elec- trons and magnons, enabling us to track spin dynamics in an antiferromagnet (AFM). In multiferroic HoMnO3, optical photoexcitation creates hot electrons, after which changes in the spin order are probed with a THz pulse tuned to a magnon resonance. This reveals a photoinduced transparency, which builds up over several picoseconds as the spins heat up due to energy transfer from hot elec- trons via phonons. This spin-lattice thermalization time is ?10 times faster than that of typical ferromagnetic (FM) manganites. We qualitatively explain the fundamental differences in spin-lattice thermalization between FM and AFM systems and apply a Boltzmann equation model for treating AFMs. Our work gives new insight into spin-lattice thermalization in AFMs and demonstrates a new approach for directly monitoring the ultrafast dynamics of spin order in these systems.

cond-mat.str-el↗