arXiv subjects

Arun Bansil

Publications and source records attributed to Arun Bansil.

At least 91 records · Page 5Linked to original sources

arXiv2023

Evolution of high-order Van Hove singularities away from cuprate-like band dispersions and its implications for cuprate superconductivity

We discuss the evolution of high-order Van Hove singularities (hoVHSs) that carry faster-than logarithmic divergences over a wide range of parameters in cuprate-like electronic band dispersions. Numerical analysis gives insight into the quantization of the VHS power-law-exponent pV and into transitions between hoVHSs with different values of pV. The cuprates are found to lie in the parameter regime where the amplitude of the hoVHS is not too large. Our study indicates that the occurrence of high-temperature superconductivity requires simultaneous tuning of two different competing orders (antiferromagnetism and the density wave associated with the hoVHS in cuprates), which is why it is so rare.

cond-mat.supr-con↗

arXiv2023

Axion optical induction of antiferromagnetic order

Using circularly-polarized light to control quantum matter is a highly intriguing topic in physics, chemistry and biology. Previous studies have demonstrated helicity-dependent optical control of spatial chirality and magnetization $M$. The former is central for asymmetric synthesis in chemistry and homochirality in bio-molecules, while the latter is of great interest for ferromagnetic spintronics. In this paper, we report the surprising observation of helicity-dependent optical control of fully-compensated antiferromagnetic (AFM) order in 2D even-layered MnBi$_2$Te$_4$, a topological Axion insulator with neither chirality nor $M$. We further demonstrate helicity-dependent optical creation of AFM domain walls by double induction beams and the direct reversal of AFM domains by ultrafast pulses. The control and reversal of AFM domains and domain walls by light helicity have never been achieved in any fully-compensated AFM. To understand this optical control, we study a novel type of circular dichroism (CD) proportional to the AFM order, which only appears in reflection but is absent in transmission. We show that the optical control and CD both arise from the optical Axion electrodynamics, which can be visualized as a Berry curvature real space dipole. Our Axion induction provides the possibility to optically control a family of $\mathcal{PT}$-symmetric AFMs such as Cr$_2$O$_3$, CrI$_3$ and possibly novel states in cuprates. In MnBi$_2$Te$_4$, this further opens the door for optical writing of dissipationless circuit formed by topological edge states.

cond-mat.mes-hall↗

arXiv2023

Peierls distortion driven multi-orbital origin of charge density waves in the undoped infinite-layer nickelate

Understanding similarities and differences between the cuprate and nickelate superconductors is drawing intense current interest. Competing charge orders have been observed recently in the $undoped$ infinite-layer nickelates in sharp contrast to the $undoped$ cuprates which exhibit robust antiferromagnetic insulating ground states. The microscopic mechanisms driving these differences remain unclear. Here, using in-depth first-principles and many-body theory based modeling, we show that the parent compound of the nickelate family, LaNiO$_2$, hosts a charge density wave (CDW) ground state with the predicted wavevectors in accord with the corresponding experimental findings. The CDW ground state is shown to be connected to a multi-orbital Peierls distortion. Our study points to the key role of electron-phonon coupling effects in the infinite-layer nickelates.

cond-mat.str-el↗

arXiv2023

Discovery of a magnetic Dirac system with large intrinsic non-linear Hall effect

Magnetic materials exhibiting topological Dirac fermions are attracting significant attention for their promising technological potential in spintronics. In these systems, the combined effect of the spin-orbit coupling and magnetic order enables the realization of novel topological phases with exotic transport properties, including the anomalous Hall effect and magneto-chiral phenomena. Herein, we report experimental signature of topological Dirac antiferromagnetism in TaCoTe2 via angle-resolved photoelectron spectroscopy (ARPES) and first-principles density functional theory (DFT) calculations. In particular, we find the existence of spin-orbit coupling-induced gaps at the Fermi level, consistent with the manifestation of a large intrinsic non-linear Hall conductivity. Remarkably, we find that the latter is extremely sensitive to the orientation of the Néel vector, suggesting TaCoTe2 a suitable candidate for the realization of non-volatile spintronic devices with an unprecedented level of intrinsic tunability.

cond-mat.str-el↗

arXiv2023

Coexistence of bulk-nodal and surface-nodeless Cooper pairings in a superconducting Dirac semimetal

The interplay of nontrivial topology and superconductivity in condensed matter physics gives rise to exotic phenomena. However, materials are extremely rare where it is possible to explore the full details of the superconducting pairing. Here, we investigate the momentum dependence of the superconducting gap distribution in a novel Dirac material PdTe. Using high resolution, low temperature photoemission spectroscopy, we establish it as a spin-orbit coupled Dirac semimetal with the topological Fermi arc crossing the Fermi level on the (010) surface. This spin-textured surface state exhibits a fully gapped superconducting Cooper pairing structure below Tc~4.5K. Moreover, we find a node in the bulk near the Brillouin zone boundary, away from the topological Fermi arc.These observations not only demonstrate the band resolved electronic correlation between topological Fermi arc states and the way it induces Cooper pairing in PdTe, but also provide a rare case where surface and bulk states host a coexistence of nodeless and nodal gap structures enforced by spin-orbit coupling.

cond-mat.supr-con↗

arXiv2023

Transverse circular photogalvanic effect associated with Lorentz-violating Weyl fermions

Nonlinear optical responses of quantum materials have recently undergone dramatic developments to unveil nontrivial geometry and topology. A remarkable example is the quantized longitudinal circular photogalvanic effect (CPGE) associated with the Chern number of Weyl fermions, while the physics of transverse CPGE in Weyl semimetals remains exclusive. Here, we show that the transverse CPGE of Lorentz invariant Weyl fermions is forced to be zero. We find that the transverse photocurrents of Weyl fermions are associated not only with the Chern numbers but also with the degree of Lorentz-symmetry breaking in condensed matter systems. Based on the generic two-band model analysis, we provide a new powerful equation to calculate the transverse CPGE based on the tilting and warping terms of Weyl fermions. Our results are more capable in designing large transverse CPGE of Weyl semimetals in experiments and are applied to more than tens of Weyl materials to estimate their photocurrents. Our method paves the way to study the CPGE of massless or massive quasiparticles to design next-generation quantum optoelectronics.

cond-mat.mtrl-sci↗

arXiv2023

Surprisingly large anomalous Hall effect and giant negative magnetoresistance in half-topological semimetals

Large intrinsic anomalous Hall effect (AHE) due to the Berry curvature in magnetic topological semimetals is attracting enormous interest due to its fundamental importance and technological relevance. Mechanisms resulting in large intrinsic AHE include diverging Berry curvature in Weyl semimetals, anticrossing nodal rings or points of non-trivial bands, and noncollinear spin structures. Here we show that a half-topological semimetal (HTS) state near a topological critical point can provide a new mechanism for driving an exceptionally large AHE. We reveal this through a systematic experimental and theoretical study of the antiferromagnetic (AFM) half-Heusler compound TbPdBi. We not only observed an unusual AHE with a surprisingly large anomalous Hall angle ΘH (tan ΘH ~ 2, the largest among the antiferromagnets) in its field-driven ferromagnetic (FM) phase, but also found a distinct Hall resistivity peak in the canted AFM phase within a low field range, where its isothermal magnetization is nearly linearly dependent on the field. Moreover, we observed a nearly isotropic, giant negative magnetoresistance with a magnitude of ~98%. Our in-depth theoretical modelling demonstrates that these exotic transport properties originate from the HTS state. A minimal Berry curvature cancellation between the trivial spin-up and nontrivial spin-down bands results not only in an extremely large AHE, but it also enhances the spin polarization of the spin-down bands substantially and thus leads to a giant negative magnetoresistance. Our study advances the understanding of the interplay between band topology and magnetism and offers new clues for materials design for spintronics and other applications.

cond-mat.mes-hall↗

arXiv2022

Critical role of magnetic moments on lattice dynamics in YBa${}_{2}$Cu${}_{3}$O${}_{6}$

The role of lattice dynamics in unconventional high-temperature superconductivity is still vigorously debated. Theoretical insights into this problem have long been prevented by the absence of an accurate first-principles description of the combined electronic, magnetic, and lattice degrees of freedom. Utilizing the recently constructed r$^2$SCAN density functional that stabilizes the antiferromagnetic (AFM) state of the pristine oxide YBa$_2$Cu$_3$O$_6$, we faithfully reproduce the experimental dispersion of key phonon modes. We further find significant magnetoelastic coupling in numerous high energy Cu-O bond stretching optical branches, where the AFM results improve over the soft non-magnetic phonon bands.

cond-mat.supr-con↗

arXiv2022

Testing the data framework for an AI algorithm in preparation for high data rate X-ray facilities

The advent of next-generation X-ray free electron lasers will be capable of delivering X-rays at a repetition rate approaching 1 MHz continuously. This will require the development of data systems to handle experiments at these type of facilities, especially for high throughput applications, such as femtosecond X-ray crystallography and X-ray photon fluctuation spectroscopy. Here, we demonstrate a framework which captures single shot X-ray data at the LCLS and implements a machine-learning algorithm to automatically extract the contrast parameter from the collected data. We measure the time required to return the results and assess the feasibility of using this framework at high data volume. We use this experiment to determine the feasibility of solutions for `live' data analysis at the MHz repetition rate.

physics.data-an↗

arXiv2022

Tuning the Many-body Interactions in a Helical Luttinger Liquid

In one-dimensional (1D) systems, electronic interactions lead to a breakdown of Fermi liquid theory and the formation of a Tomonaga-Luttinger Liquid (TLL). The strength of its many-body correlations can be quantified by a single dimensionless parameter, the Luttinger parameter $K$, characterising the competition between the electrons' kinetic and electrostatic energies. Recently, signatures of a TLL have been reported for the topological edge states of quantum spin Hall (QSH) insulators, strictly 1D electronic structures with linear (Dirac) dispersion and spin-momentum locking. Here we show that the many-body interactions in such helical Luttinger Liquid can be effectively controlled by the edge state's dielectric environment. This is reflected in a tunability of the Luttinger parameter $K$, distinct on different edges of the crystal, and extracted to high accuracy from the statistics of tunnelling spectra at tens of tunneling points. The interplay of topology and many-body correlations in 1D helical systems has been suggested as a potential avenue towards realising non-Abelian parafermions.

cond-mat.str-el↗

arXiv2022

Unconventional Resistivity Scaling in Topological Semimetal CoSi

Nontrivial band topologies in semimetals lead to robust surface states that can contribute dominantly to the total conduction. This may result in reduced resistivity with decreasing feature size contrary to conventional metals, which may highly impact the semiconductor industry. Here we study the resistivity scaling of a representative topological semimetal CoSi using realistic band structures and Green's function methods. We show that there exists a critical thickness d_c dividing different scaling trends. Above d_c, when the defect density is low such that surface conduction dominates, resistivity reduces with decreasing thickness; when the defect density is high such that bulk conduction dominates, resistivity increases in as conventional metals. Below d_c, the persistent remnants of the surface states give rise to decreasing resistivity down to the ultrathin limit, unlike in topological insulators. The observed CoSi scaling can apply to broad classes of topological semimetals, providing guidelines for materials screening and engineering. Our study shows that topological semimetals bear the potential of overcoming the resistivity scaling challenges in back-end-of-line interconnect applications.

cond-mat.mes-hall↗

arXiv2022

Competing Incommensurate Spin Fluctuations and Magnetic Excitations in Infinite-Layer Nickelate Superconductors

The recently discovered infinite-layer nickelates show great promise in helping to disentangle the various cooperative mechanisms responsible for high-temperature superconductivity. However, lack of antiferromagnetic order in the pristine nickelates presents a challenge for connecting the physics of the cuprates and nickelates. Here, by using a quantum many-body Green's function-based approach to treat the electronic and magnetic structures, we unveil the presence of many two- and three-dimensional magnetic stripe instabilities that are shown to persist across the phase diagram of LaNiO$_2$. Our analysis indicates that the magnetic properties of the infinite-layer nickelates are closer to those of the doped cuprates which host inhomogeneous ground states rather than the undoped cuprates. The computed magnon spectrum in LaNiO$_2$ is found to contain an admixture of contributions from localized and itinerant carriers. The theoretically obtained magnon dispersion is in accord with the results of the corresponding RIXS experiments. Our study gives insight into the origin of inhomogeneity in the infinite-layer nickelates and their relationship with the cuprates.

cond-mat.str-el↗

arXiv2022

Switchable large-gap quantum spin Hall state in two-dimensional MSi$_2$Z$_4$ materials class

Quantum spin Hall (QSH) insulators exhibit spin-polarized conducting edge states that are topologically protected from backscattering and offer unique opportunities for addressing fundamental science questions and device applications. Finding viable materials that host such topological states, however, remains a challenge. Here by using in-depth first-principles theoretical modeling, we predict large bandgap QSH insulators in recently bottom-up synthesized two-dimensional (2D) MSi$_2$Z$_4$ (M = Mo or W and Z = P or As) materials family with $1T^\prime$ structure. A structural distortion in the $2H$ phase drives a band inversion between the metal (Mo/W) $d$ and $p$ states of P/As to realize spinless Dirac cone states without spin-orbit coupling. When spin-orbit coupling is included, a hybridization gap as large as $\sim 204$ meV opens up at the band crossing points, realizing spin-polarized conducting edge states with nearly quantized spin Hall conductivity. We also show that the inverted band gap is tunable with a vertical electric field which drives a topological phase transition from the QSH to a trivial insulator with Rashba-like edge states. Our study identifies 2D MSi$_2$Z$_4$ materials family with $1T^\prime$ structure as large bandgap, tunable QSH insulators with protected spin-polarized edge states and large spin-Hall conductivity.

cond-mat.mes-hall↗

arXiv2022

Topological spiral magnetism in the Weyl semimetal SmAlSi

Weyl electrons are intensely studied due to novel charge transport phenomena such as chiral anomaly, Fermi arcs, and photogalvanic effect. Recent theoretical works suggest that Weyl electrons can also participate in magnetic interactions, and the Weyl-mediated indirect exchange coupling between local moments is proposed as a new mechanism of spiral magnetism that involves chiral electrons. Despite reports of incommensurate and non-collinear magnetic ordering in Weyl semimetals, an actual spiral order has remained hitherto undetected. Here, we present evidence of Weyl-mediated spiral magnetism in SmAlSi from neutron diffraction, transport, and thermodynamic data. We show that the spiral order in SmAlSi results from the nesting between topologically non-trivial Fermi pockets and weak magnetocrystalline anisotropy, unlike related materials (Ce,Pr,Nd)AlSi, where a strong anisotropy prevents the spins from freely rotating. We map the magnetic phase diagram of SmAlSi and reveal an A-phase where topological magnetic excitations may exist. This is corroborated by the observation of a topological Hall effect within the A-phase.

cond-mat.mtrl-sci↗

arXiv2022

Critical role of magnetic moments in heavy-fermion materials: revisiting mysteries of SmB$_{6}$

Heavy-fermion family exhibits fascinating and often puzzling properties due to the presence of open-shell $f$ ions and the complexity of the associated charge, orbital, and spin degrees of freedom. SmB$_6 $ is a prototypical heavy-fermion compound that is electrically insulating but yet it displays quantum oscillations, which are a telltale signature of the metallic state. Adding to the enigma is the possibility that SmB$_6$ is a topological Kondo insulator. Here, by treating the spin degree of freedom on an equal footing with other degrees of freedom using the parameter-free strongly-constrained and appropriately-normed (SCAN) density functional, we explore the ground-state electronic structure of SmB$_{6}$. A number of competing magnetic phases lying very closely in energy are found, indicating the key role of spin fluctuations in the material. The computed band structure, crystal-field splittings in the $f$-electron complex, the heavy effective electron mass at the Fermi energy, and the large specific heat are all in good agreement with the corresponding experimental results. In particular, our predicted FS explains the experimentally observed bulk quantum oscillations as well as the low electrical conductivity of SmB$_{6}$. The topological Kondo state of SmB$_6$ is shown to be robust regardless of its magnetic configuration. The excellent performance of SCAN in heavy-fermion systems is explained in terms of its ability to treat self-interaction errors and symmetry breaking within the framework of the density functional theory. Our study provides a new approach for modeling heavy-fermion materials.

cond-mat.str-el↗

arXiv2022

Effect of disorder and doping on electronic structure and diffusion properties of Li$_{3}$V$_{2}$O$_{5}$

V$_{2}$O$_{5}$ in its $ω$ phase (Li$_{3}$V$_{2}$O$_{5}$) with excess lithium is a potential alternative to the graphite anode for lithium-ion batteries at low temperature and fast charging conditions due to its safer voltage (0.6 V vs Li$^{+}$/Li(s)) and high lithium transport rate. In-operando cationic disorder, as observed in most ordered materials, can produce significant changes in charge compensation mechanisms, anionic activity, lithium diffusion and operational voltages. In this work, we report the variation in structural distortion, electronic structure and migration barrier accompanied by disorder using first-principles calculations. Due to segregation of lithium atoms in the disordered state, we observe greater distortion, emergence of metallic behaviour and potential anionic activity from non-bonding oxygen states near the Fermi level. Redox capacity can be tuned by doping with 3d metals which can adjust the participating cationic states, and by fluorine substitution which can stabilize or suppress anionic states. Moreover, suppression of anionic activity is found to decrease structural distortion, crucial for mitigating voltage fade and hysteresis. Diffusion barrier calculations in the presence of disorder indicate the activation of the remaining 3D-paths for lithium hopping which are unavailable in the ordered configuration, explaining its fast-charging ability observed in experiments.

cond-mat.mtrl-sci↗

arXiv2022

Topological states in superlattices of HgTe-class materials for engineering three-dimensional flat bands

In search of materials with three-dimensional flat band dispersions, using {\em ab-initio} computations, we investigate how topological phases evolve as a function of hydrostatic pressure and uniaxial strain in two types of superlattices: HgTe/CdTe and HgTe/HgSe. In short-period HgTe/CdTe superlattices, our analysis unveils the presence of isoenergetic nodal lines, which could host strain-induced three-dimensional flat bands at the Fermi level without requiring doping, when fabricated, for instance, as core-shell nanowires. In contrast, HgTe/HgSe short-period superlattices are found to harbor a rich phase diagram with a plethora of topological phases. Notably, the unstrained superlattice realizes an ideal Weyl semimetal with Weyl points situated at the Fermi level. A small-gap topological insulator with multiple band inversions can be obtained by tuning the volume: under compressive uniaxial strain, the material transitions sequentially into a Dirac semimetal to a nodal-line semimetal, and finally into a topological insulator with a single band inversion.

cond-mat.mtrl-sci↗

arXiv2022

Magnetically tunable Dirac and Weyl fermions in the Zintl materials family

Recent classification efforts encompassing crystalline symmetries have revealed rich possibilities for solid-state systems to support a tapestry of exotic topological states. However, finding materials that realize such states remains a daunting challenge. Here we show how the interplay of topology, symmetry, and magnetism combined with doping and external electric and magnetic field controls can be used to drive the previously unreported SrIn$_2$As$_2$ materials family into a variety of topological phases. Our first-principles calculations and symmetry analysis reveal that SrIn$_2$As$_2$ is a dual topological insulator with $Z_2=(1;000)$ and mirror Chern number $C_M= -1$. Its isostructural and isovalent antiferromagnetic cousin EuIn$_2$As$_2$ is found to be an axion insulator with $Z_4= 2$. The broken time-reversal symmetry via Eu doping in Sr$_{1-x}$Eu$_x$In$_2$As$_2$ results in a higher-order or topological crystalline insulator state depending on the orientation of the magnetic easy axis. We also find that antiferromagnetic EuIn$_2$P$_2$ is a trivial insulator with $Z_4= 0$, and that it undergoes a magnetic field-driven transition to an ideal Weyl fermion or nodal fermion state with $Z_4= 1$ with applied magnetic field. Our study identifies Sr$_{1-x}$Eu$_x$In$_2$(As, P)$_2$ as a new tunable materials platform for investigating the physics and applications of Weyl and nodal fermions in the scaffolding of crystalline and axion insulator states.

cond-mat.mes-hall↗