arXiv subjects

A. Bansil

Publications and source records attributed to A. Bansil.

At least 19 recordsLinked to original sources

arXiv2026

Imaging of van der Waals Materials via Standing-Wave Photoemission Microscopy: Depth-Resolved Electronic Structure of WS2

Two-dimensional van der Waals materials promise electronic, optoelectronic, and quantum technologies, yet depth-resolved characterization remains challenging. Here, we demonstrate standing-wave photoemission electron microscopy (SW-PEEM) for Angstrom-scale spectromicroscopy of monolayer WS2 on a W/C multilayer substrate. Tuning the X-ray standing wave through the monolayer yields a chemical depth profile and valence-band modulation with enhanced sensitivity to the top and bottom sulfur layers. X-ray optical modeling determines the structure and field distribution. The measurements reveal an ~0.2 eV shift in sulfur-derived valence-band spectral weight between measurements with enhanced sensitivity to the top and bottom sulfur layers. This shift is unlikely to arise from strong direct substrate hybridization and is instead consistent with sulfur-related surface species, as supported by calculations using a representative elemental-sulfur model. These results establish SW-PEEM as a non-destructive depth-resolved probe, highlighting its potential to probe interfacial coupling, chemical reconstruction, and emergent states in van der Waals and moir\'e systems.

cond-mat.mtrl-sci↗

arXiv2025

Incommensurate magnetic order drives singular angular magnetoresistance in a Weyl semimetal

We demonstrate that a multi-$\mathbf{k}$ incommensurate magnetic state in the Weyl semimetal CeAlGe gives rise to singular angular magnetoresistance (SAMR), an electrical-transport signature that detects the magnetic-field direction with exceptional precision. In contrast, the sister compound CeAlSi shows neither multi-$\mathbf{k}$ order nor SAMR. Both phenomena emerge upon $\sim57\%$ Ge substitution in CeAlSi$_{1-x}$Ge$_x$ and coincide with electronic-structure changes that soften the single-ion in-plane anisotropy and enhance Weyl-mediated magnetic interactions. These results reveal a direct connection between band topology, electronic transport, and collective magnetism in Weyl semimetals.

cond-mat.str-el↗

arXiv2025

A model for intertwined orders in cuprates

We model the intertwined orders in the cuprate pseudogap as a textured antiferromagnet (AFM), where the texture arises from confining competing phases on topological defects, i.e., arrays of AFM domain walls. Three branches of texture are found, which can be interpreted as a strongly frustrated remnant of an underlying eutectoid phase diagram. This model can describe many key features of intertwined orders in cuprates, including the trisected superconducting dome, and provides clear evidence for a doping/hopping-parameter-dependent Mott-Slater transition in cuprates.

cond-mat.str-el↗

arXiv2024

Skyrmions: A review on materials perspective for future electronic devices

Recent years have witnessed an enormous rise in research interest in magnetic skyrmions owing to their capability to improve over contemporary spintronic devices. An overview of the various magnetic interactions responsible for the formation of skyrmion together with distinct noncentrosymmetric and centrosymmetric skyrmion candidates is given in this review article. The magnetic interactions known as Dzyaloshinskii-Moriya interactions (DMI) have been extensively studied over the years to better understand the mechanism of skyrmions in chiral magnets that have larger skyrmion sizes. Because of their low skyrmion size, the centrosymmetric frustrated magnets are dwelling to skyrmions controlled by long-range interactions such as the Ruderman-Kittel-Kasuya-Yosida interaction (RKKY), which may be useful in the development of high-density memory devices. To lay a solid foundation for the magnetic interactions involved in skyrmion formations and many other special physical properties, more research in the field of centrosymmetric skyrmions is required. Apart from studying candidates with low skyrmion sizes, one of the main goals for the future is to better understand the dynamics of skyrmion using polarized magnons, which has the potential to be extremely beneficial for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2023

Non-orthogonal Spin-Momentum Locking

Spin-momentum locking is a unique intrinsic feature of strongly spin-orbit coupled materials and a key to their promise of applications in spintronics and quantum computation. Much of the existing work, in topological and non-topological pure materials, has been focused on the orthogonal locking in the vicinity of the $Γ$ point where the directions of spin and momentum vectors are locked perpendicularly. With the orthogonal case, enforced by the symmetry in pure systems, mechanisms responsible for non-orthogonal spin-momentum locking (NOSML) have drawn little attention, although it has been reported on the topological surface of $α$-$Sn$. Here, we demonstrate that, the presence of the spin-orbit scattering from dilute spinless impurities can produce the NOSML state in the presence of a strong intrinsic spin-orbit coupling in the pristine material. We also observe an interesting coupling threshold for the NOSML state to occur. The relevant parameter in our analysis is the deflection angle from orthogonality which can be extracted experimentally from the spin-and-angle-resolved photoemission (S-ARPES) spectra. Our formalism is applicable to all strongly spin-orbit coupled systems with impurities and not limited to topological ones. The understanding of NOSML bears on spin-orbit dependent phenomena, including issues of spin-to-charge conversion and the interpretation of quasiparticle interference (QPI) patterns as well as scanning-tunneling spectra (STS) in general spin-orbit coupled materials.

cond-mat.mes-hall↗

arXiv2023

Theory of Cuprate Pseudogap as Antiferromagnetic Order with Charged Domain Walls

While magnetic fields generally compete with superconductivity, a type II superconductor can persist to very high fields by confining the field in topological defects, namely vortices. We propose that a similar physics underlies the pseudogap phase in cuprates, where the relevant topological defects are the antiphase domain walls of an underlying antiferromagnetic (AFM) order. A key consequence of this scenario is that the termination of the pseudogap phase should be quantitatively described by the underlying AFM model. We demonstrate that this picture can explain a number of key experimentally observed signatures of the pseudogap phase and how it collapses in the cuprates.

cond-mat.str-el↗

arXiv2023

Mott-Slater Transition in a Textured Cuprate Antiferromagnet

We generalize the concept of vortex phase in a type II superconductor to textured phases, where certain phases can persist over an extended range of perturbations by confining competing phases on topological defects (the vortices in a superconductor). We apply this model to the pseudogap phase in cuprates, where the relevant topological defects are the antiphase domain walls of an underlying antiferromagnetic (AFM) order. We demonstrate that this model can describe many key features of intertwined orders in cuprates, and most importantly provide the first clear evidence for the Mott-Slater transition in cuprates.

cond-mat.supr-con↗

arXiv2020

Ab initio description of the Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ electronic structure

Bi-based cuprate superconductors are important materials for both fundamental research and applications. As in other cuprates, the superconducting phase in the Bi compounds lies close to an antiferromagnetic phase. Our density functional theory calculations based on the strongly-constrained-and-appropriately-normed (SCAN) exchange correlation functional in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ reveal the persistence of magnetic moments on the copper ions for oxygen concentrations ranging from the pristine phase to the optimally hole-doped compound. We also find the existence of ferrimagnetic solutions in the heavily doped compounds, which are expected to suppress superconductivity.

cond-mat.supr-con↗

arXiv2019

Spectroscopic evidence for electron-boson coupling in electron-doped Sr$_2$IrO$_4$

The pseudogap, d-wave superconductivity and electron-boson coupling are three intertwined key ingredients in the phase diagram of the cuprates. Sr$_2$IrO$_4$ is a 5d-electron counterpart of the cuprates in which both the pseudogap and a d-wave instability have been observed. Here, we report spectroscopic evidence for the presence of the third key player in electron-doped Sr$_2$IrO$_4$: electron-boson coupling. A kink in nodal dispersion is observed with an energy scale of ~50 meV. The strength of the kink changes with doping, but the energy scale remains the same. These results provide the first noncuprate platform for exploring the relationship between the pseudogap, d-wave instability and electron-boson coupling in doped Mott insulators.

cond-mat.supr-con↗

arXiv2018

Excitonic insulators as a model of $d-d$ and Mott transitions in strongly correlated materials

We show how strongly correlated materials could be described within the framework of an excitonic insulator formalism, and delineate the relationship between inter- and intra-band ordering phenomena. Our microscopic model of excitons clarifies the fundamental role of Van-Hove-singularity-nesting in driving both inter- and intra-band ordering transitions, and uncovers an interesting connection with resonating-valence-bond physics.

cond-mat.str-el↗

arXiv2017

Entropic Origin of Pseudogap Physics and a Mott-Slater Transition in Cuprates

We propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different $q$-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature $T$ is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher $T$, consistent with a picture of the VHS driving the pseudogap transition at a temperature $\sim T^*$. As a byproduct, we develop an order-parameter classification scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a {\it transition between Mott and Slater physics}, where a spin-frustrated state emerges at the crossover.

cond-mat.str-el↗

arXiv2017

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of beyond graphene compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functional for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.

cond-mat.mtrl-sci↗

arXiv2016

Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering

We discuss how x-ray Compton scattering spectra can be used for investigating the evolution of electronic states in cathode materials of Li batteries under the lithiation/delithiation process. In particular, our analysis of the Compton spectra taken from polycrystalline LixCoO2 samples shows that the spectra are dominated by the contribution of the O-2p redox orbital. We identify a distinct signature of d-orbital delocalization, which is tied directly to the conductivity of the material, providing a descriptor based on Compton spectra for monitoring the lithiation range with improved conductivity and kinetics for electrochemical operation. Our study demonstrates that Compton scattering spectroscopy can provide a window for probing complex electronic mechanisms underlying the charging and discharging processes in Li-battery materials.

cond-mat.mtrl-sci↗

arXiv2016

3D Dirac cone carrier dynamics in Na3Bi and Cd3As2

Optical measurements and band structure calculations are reported on 3D Dirac materials. The electronic properties associated with the Dirac cone are identified in the reflectivity spectra of Cd$_3$As$_2$ and Na$_3$Bi single crystals. In Na$_3$Bi, the plasma edge is found to be strongly temperature dependent due to thermally excited free carriers in the Dirac cone. The thermal behavior provides an estimate of the Fermi level $E_F=25$ meV and the z-axis Fermi velocity $v_z = 0.3 \text{ eV} Å$ associated with the heavy bismuth Dirac band. At high energies above the $Γ$-point Lifshitz gap energy, a frequency and temperature independent $ε_2$ indicative of Dirac cone interband transitions translates into an ab-plane Fermi velocity of $3 \text{ eV} Å$. The observed number of IR phonons rules out the $\text{P}6_3\text{/mmc}$ space group symmetry but is consistent with the $\text{P}\bar{3}\text{c}1$ candidate symmetry. A plasmaron excitation is discovered near the plasmon energy that persists over a broad range of temperature. The optical signature of the large joint density of states arising from saddle points at $Γ$ is strongly suppressed in Na$_3$Bi consistent with band structure calculations that show the dipole transition matrix elements to be weak due to the very small s-orbital character of the Dirac bands. In Cd$_3$As$_2$, a distinctive peak in reflectivity due to the logarithmic divergence in $ε_1$ expected at the onset of Dirac cone interband transitions is identified. The center frequency of the peak shifts with temperature quantitatively consistent with a linear dispersion and a carrier density of $n=1.3\times10^{17}\text{ cm}^{-3}$. The peak width gives a measure of the Fermi velocity anisotropy of $10\%$, indicating a nearly spherical Fermi surface. The lineshape gives an upper bound estimate of 7 meV for the potential fluctuation energy scale.

cond-mat.str-el↗

arXiv2016

Self-consistent scheme for optical response of large hybrid networks of semiconductor quantum dots and plasmonic metal nanoparticles

We discuss a self-consistent scheme for treating the optical response of large, hybrid networks of semiconducting quantum dots (SQDs) and plasmonic metallic nanoparticles (MNPs). Our method is efficient and scalable and becomes exact in the limiting case of weakly interacting SQDs. The self-consistent equations obtained for the steady state are analogous to the von Neumann equations of motion for the density matrix of a SQD placed in an effective electric field computed within the discrete dipole approximation. Illustrative applications of the theory to square and honeycomb SQD, MNP, and hybrid SDQ-MNP lattices as well as SQD-MNP dimers are presented. Our results demonstrate that hybrid SQD-MNP lattices can provide flexible platforms for light manipulation with tunable resonant characteristics.

cond-mat.mes-hall↗

arXiv2016

Van Hove Singularity as the Driver of Pseudogap Physics in Cuprate High-$T$ Superconductors

We propose a new approach to the pseudogap problem in cuprates. Hole-doped cuprates display a broad plateau in the susceptibility centered near $(π,π)$. Competition between the softening of different $q$-modes on this plateau leads to anomalously slow growth of magnetic correlations with reducing temperature -- i.e., extended ranges of short-range correlations. The plateau arises from competition between Fermi- surface nesting and a `hidden' Van Hove singularity (VHS) nesting, associated with a bulk contribution to the susceptibility. As such, the VHS contribution is not tied to the Fermi level but rather turns on near $T_{VHS}=(E_F-E_{VHS})/k_B$ [where $E_F$ is the Fermi energy and $E_{VHS}$ the energy of the VHS peak]. Identifying $T^*\simeq T_{VHS}$ can explain many characteristic features of the pseudogap, including the transport anomalies and the termination of the pseudogap when $E_{VHS}$ crosses the Fermi level.

cond-mat.supr-con↗

arXiv2016

Role of surface termination in realizing well-isolated topological surface states within the bulk band gap in TlBiSe$_2$ and TlBiTe$_2$

Electronic structures associated with the flat (polar) Se/Te- or Tl-terminated surfaces of TlBiSe$_2$ and TlBiTe$_2$ are predicted to harbor not only Dirac cone states, but also trivial dangling bond states near the Fermi energy. However, the latter, trivial states have never been observed in photoemission measurements. In order to address this discrepancy, we have carried out {\it ab-initio} calculations for various surfaces of TlBiSe$_2$ and TlBiTe$_2$. A rough nonpolar surface with an equal number of Se/Te and Tl atoms in the surface atomic layer is found to destroy the trivial dangling bond states, leaving only the Dirac cone states in the bulk energy gap. The resulting energy dispersions of the Dirac states are in good accord with the corresponding experimental dispersions in TlBiSe$_2$ as well as TlBiTe$_2$. We also show that in the case of flat, Se terminated, high-index (221) and (112) surfaces of TlBiSe$_2$, the trivial surface states shift energetically below the Dirac node and become well-separated from the Dirac cone states.

cond-mat.mes-hall↗

arXiv2016

Non-destructive measurement of in-operando lithium concentration in batteries via x-ray Compton scattering

Non-destructive determination of lithium distribution in a working battery is key for addressing both efficiency and safety issues. Although various techniques have been developed to map the lithium distribution in electrodes, these methods are mostly applicable to test cells. Here we propose the use of high-energy x-ray Compton scattering spectroscopy to measure the local lithium concentration in closed electrochemical cells. A combination of experimental measurements and parallel first-principles computations is used to show that the shape parameter S of the Compton profile is linearly proportional to lithium concentration and thus provides a viable descriptor for this important quantity. The merits and applicability of our method are demonstrated with illustrative examples of LixMn2O4 cathodes and a working commercial lithium coin battery CR2032.

cond-mat.mtrl-sci↗