arXiv subjects

A. Bansil

Publications and source records attributed to A. Bansil.

At least 73 records · Page 4Linked to original sources

arXiv2012

Electron behavior in topological insulator based P-N overlayer interfaces

Topological insulators (TIs) are novel materials that manifest spin-polarized Dirac states on their surfaces or at interfaces made with conventional matter. We have measured the electron kinetics of bulk doped TI Bi$_2$Se$_3$ with angle resolved photoemission spectroscopy while depositing cathodic and anodic adatoms on the TI surfaces to add charge carriers of the opposite sign from bulk dopants. These P-N overlayer interfaces create Dirac point transport regimes and larger interface potentials than previous N-N type surface deposition studies, revealing unconventional Rashba-like and surface-bulk electron interactions, and an unusual characteristic distribution of spectral weight near the Dirac point in TI Dirac point interfaces. The electronic structures of P-N doped topological interfaces observed in these experiments are an important step towards the understanding of solid interfaces with topological materials.

cond-mat.mtrl-sci↗

arXiv2012

Effects of iron doping on the topological insulator surfaces

Topological insulators embody a newly discovered state of matter characterized by conducting spin-momentum locked surface states that span the bulk band gap. So far, most of the study on topological insulator surfaces has been limited to understanding their properties without strong Coulomb perturbation or breaking of time reversal symmetry. We have used deposited iron, with a large positive ionization state and significant magnetic moment as a strong probe to modify the surface electronic structure of the Bi2Se3 surface at the gap energy scale. We observe that such perturbation leads to the creation of multiple Dirac fermions consistent with Z2 or Mod(2) symmetry. Taken collectively, these results are a helpful guide in manipulating topological surfaces for probing fundamental physics or developing device applications.

cond-mat.mes-hall↗

arXiv2012

Evidence of strong correlations at the van Hove singularity in the scanning tunneling spectra of superconducting Bi_{2}Sr_{2}CaCu_{2}O_{8+δ} single crystals

We present realistic multiband calculations of scanning tunneling spectra in Bi_{2}Sr_{2}CaCu_{2} O_{8+δ} over a wide doping range. Our modeling incorporates effects of a competing pseudogap and pairing gap as well as effects of strong electronic correlations, which are included by introducing self-energy corrections in the one-particle propagators. The calculations provide a good description of the two-gap features seen in experiments at low energies and the evolution of the Van Hove singularity (VHS) with doping, and suggest a possible quantum critical point near the point where the VHS crosses the Fermi level.

cond-mat.supr-con↗

arXiv2012

An isolated Dirac cone on the surface of ternary tetradymite-like topological insulators

We have extended the search for topological insulators to the ternary tetradymite-like compounds M2X2Y (M = Bi or Sb; X and Y = S, Se or Te), which are variations of the well-known binary compounds Bi2Se3 and Bi2Te3. Our first-principles computations suggest that five existing compounds are strong topological insulators with a single Dirac cone on the surface. In particular, stoichiometric Bi2Se2S, Sb2Te2Se and Sb2Te2S are predicted to have an isolated Dirac cone on their naturally cleaved surface. This finding paves the way for the realization of the topological transport regime.

cond-mat.mtrl-sci↗

arXiv2012

Anomalous spin-momentum locked two-dimensional states in the vicinity of a topological phase transition

We perform spin-resolved and spin-integrated angle-resolved photoemission spectroscopy measurements on a series of compositions in the BiTl(S1-xSex)2 system, focusing on x-values in the vicinity of the critical point for the topological phase transition (the band inversion composition). We observe quasi two dimensional (2D) states on the outer boundary of the bulk electronic bands in the trivial side (non-inverted regime) of the transition. Systematic spin-sensitive measurements reveal that the observed 2D states are spin-momentum locked, whose spin texture resembles the helical spin texture on the surface of a topological insulator. These anomalous states are observed to be only prominent near the critical point, thus are possibly related to strong precursor states of topological phase transition near the relaxed surface.

cond-mat.str-el↗

arXiv2012

Visualizing electron pockets in cuprate superconductors

Fingerprint of the electron-pocket in cuprates has been obtained only in numerous magneto-transport measurements, but its absence in spectroscopic observations pose a long-standing mystery. We develop a theoretical tool to provide ways to detect electron-pockets via numerous spectroscopies including scanning tunneling microscopy (STM) spectra, inelastic neutron scattering (INS), and angle-resolved photoemission spectroscopy (ARPES). We show that the quasiparticle-interference (QPI) pattern, measured by STM, shows additional 7 ${\bm q}$ vectors associated with the scattering on the electron-pocket, than that on the hole-pocket. Furthermore, the Bogolyubov quasiparticle scatterings of the electron pocket may lead to a second magnetic resonance mode in the INS spectra at a higher resonance energy. Finally, we reanalyze some STM, INS, and ARPES experimental data of several cuprate compounds which dictates the direct fingerprints of electron pockets in these systems.

cond-mat.supr-con↗

arXiv2012

Bulk Fermi surface and momentum density in heavily doped La$_{2-x}$Sr$_x$CuO$_4$ using high resolution Compton scattering and positron annihilation spectroscopies

We have observed the bulk Fermi surface (FS) in an overdoped ($x$=0.3) single crystal of La$_{2-x}$Sr$_x$CuO$_4$ by using Compton scattering. A two-dimensional (2D) momentum density reconstruction from measured Compton profiles yields a clear FS signature in the third Brillouin zone along [100]. The quantitative agreement between density functional theory (DFT) calculations and momentum density experiment suggests that Fermi-liquid physics is restored in the overdoped regime. In particular the predicted FS topology is found to be in good accord with the corresponding experimental data. We find similar quantitative agreement between the measured 2D angular correlation of positron annihilation radiation (2D-ACAR) spectra and the DFT based computations. However, 2D-ACAR does not give such a clear signature of the FS in the extended momentum space in either the theory or the experiment.

cond-mat.supr-con↗

arXiv2012

Crossover from inelastic magnetic scattering of Cooper pairs to spin-wave dispersion produces low-energy kink in cuprates

We present GW based self-energy calculations for the state of coexisting spin-density wave and d-wave superconductivity in a series of cuprate superconductors. In these systems, the spin resonance spectrum exhibits the typical `hour-glass' form, whose upward and downward dispersion branches come from the gapped spin-wave and magnetic scattering of Cooper pairs, respectively. We show that the crossover between these two different dispersion features leads to an abrupt change in slope in the quasiparticle self-energy, and hence the low-energy kink commences in the single-particle quasiparticle spectrum. The calculated electron-bosonic coupling strength agrees well with experimental data as a function of temperature, doping and material. The results demonstrate that the electronic correlations dominate the quasiparticle spectra of cuprates near the low-energy kink, suggesting a relatively smaller role for phonons in this energy range.

cond-mat.supr-con↗

arXiv2012

Coexisting pseudogap, charge transfer gap, and Mott gap energy scales in the resonant inelastic x-ray scattering spectra of electron-doped cuprates

We present a computation of Cu K-edge resonant inelastic x-ray scattering (RIXS) spectra for electron-doped cuprates which includes coupling to bosonic fluctuations. Comparison with experiment over a wide range of energy and momentum transfers allows us to identify the signatures of three key normal-state energy scales: the pseudogap, charge transfer gap, and Mott gap. The calculations involve a three band Hubbard Hamiltonian based on Cu $d_{x^2-y^2}$ and O $p_x$, $p_y$ orbitals, with a self-energy correction which arises due to spin and charge fluctuations. Our theory reproduces characteristic features e.g., gap collapse, large spectral weight broadening, and spectral weight transfer as a function of doping, as seen in experiments.

cond-mat.str-el↗

arXiv2012

Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering

Metallic liquid silicon at 1787K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally-localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.

cond-mat.mtrl-sci↗

arXiv2011

Fermi surface topology and low-lying electronic structure of a new iron-based superconductor Ca10(Pt3As8)(Fe2As2)5

We report a first study of low energy electronic structure and Fermi surface topology for the recently discovered iron-based superconductor Ca10(Pt3As8)(Fe2As2)5 (the 10-3-8 phase, with Tc = 8K), via angle-resolved photoemission spectroscopy (ARPES). Despite its triclinic crystal structure, ARPES results reveal a fourfold symmetric band structure with the absence of Dirac-cone-like Fermi dots (related to magnetism) found around the Brillouin zone corners in other iron-based superconductors. Considering that the triclinic lattice and structural supercell arising from the Pt3As8 intermediary layers, these results indicate that those layers couple only weakly to the FeAs layers in this new superconductor, which has implications for the determination of its potentially novel pairing mechanism.

cond-mat.supr-con↗

arXiv2011

Reconstructing the bulk Fermi surface and the superconducting gap properties from Neutron Scattering experiments

We develop an analytical tool to extract bulk electronic properties of unconventional superconductors through inelastic neutron scattering (INS) spectra. Since the spin excitation spectrum in the superconducting (SC) state originates from Bogoliubov quasiparticle scattering associated with Fermi surface nesting, its energy-momentum relation--the so called `hour-glass' feature--can be inverted to reveal the Fermi momentum dispersion of the single-particle spectrum as well as the corresponding SC gap function. The inversion procedure is analogous to the quasiparticle interference (QPI) effect in scanning tunneling microscopy (STM). Whereas angle-resolved photoemission spectroscopy (ARPES) and STM provide surface sensitive information, our inversion procedure provides bulk electronic properties. The technique is essentially model independent and can be applied to a wide variety of materials.

cond-mat.supr-con↗

arXiv2011

Renormalization of f-levels away from the Fermi energy in electron excitation spectroscopies: Density functional results of Nd$_{2-x}$Ce$_x$CuO$_4$

Relaxation energies for photoemission, when an occupied electronic state is excited, and for inverse photoemission, when an empty state is filled, are calculated within the density functional theory with application to Nd$_{2-x}$Ce$_x$CuO$_4$. The associated relaxation energies are obtained by computing differences in total energies between the ground state and an excited state in which one hole or electron is added into the system. The relaxation energies of f-electrons are found to be of the order of several eV's, indicating that f-bands will appear substantially away from the Fermi energy ($E_F$) in their spectroscopic images, even if these bands lie near $E_F$. Our analysis explains why it would be difficult to observe f electrons at the $E_F$ even in the absence of strong electronic correlations.

cond-mat.str-el↗

arXiv2011

Spectral decomposition and matrix element effects in scanning tunneling spectroscopy of Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$

We present a Green's function based framework for modeling the scanning tunneling spectrum from the normal as well as the superconducting state of complex materials where the nature of the tunneling process$-$ i.e. the effect of the tunneling 'matrix element', is properly taken into account. The formalism is applied to the case of optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) high-Tc superconductor using a large tight-binding basis set of electron and hole orbitals. The results show clearly that the spectrum is modified strongly by the effects of the tunneling matrix element and that it is not a simple replica of the local density of states (LDOS) of the Cu-$d_{x^2-y^2}$ orbitals with other orbitals playing a key role in shaping the spectra. We show how the spectrum can be decomposed usefully in terms of tunneling 'channels' or paths through which the current flows from various orbitals in the system to the scanning tip. Such an analysis reveals symmetry forbidden and symmetry enhanced paths between the tip and the cuprate layers. Significant contributions arise from not only the CuO$_2$ layer closest to the tip, but also from the second CuO$_2$ layer. The spectrum also contains a longer range background reflecting the non-local nature of the underlying Bloch states. In the superconducting state, coherence peaks are found to be dominated by the anomalous components of Green's function.

cond-mat.supr-con↗

arXiv2011

Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds

We present first-principles calculations to predict several three dimensional (3D) topological insulators in quaternary chalcogenide compounds which are made of I$_2$-II-IV-VI$_4$ compositions and in ternary compositions of I$_3$-V-VI$_4$ famatinite compounds. Among the large members of these two families, we give examples of naturally occurring compounds which are mainly Cu-based chalcogenides. We show that these materials are candidates of 3D topological insulators or can be tuned to obtain topological phase transition by manipulating the atomic number of the other cation and anion elements. A band inversion can occur at a single point $Γ$ with considerably large inversion strength, in addition to the opening of a bulk band gap throughout the Brillouin zone. We also demonstrate that both of these families are related to each other by cross-substitutions of cations in the underlying tetragonal structure and that one can suitably tune their topological properties in a desired manner.

cond-mat.mes-hall↗

arXiv2011

Effect of orbital symmetry of the tip on Scanning Tunneling Spectra of Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$

We discuss how variations in the scanning tunneling microscope (STM) tip, whether unintentional or intentional, can lead to changes in topographic images and dI/dV spectra. We consider the possibility of utilizing functionalized tips in order to improve the sensitivity of STM experiments to local irregularities at the surface or hidden below the surface layers. The change in the tip symmetry can radically alter the contrast of the topographic image due to changes in tip-surface overlap. The dI/dV curves change their shape according to which sample bands the tip orbital tends to overlap. In addition, relative phases between competing tunneling channels can be inverted by changing the tip symmetry, which could help reveal the origin of a local irregularity in tunneling spectrum.

cond-mat.supr-con↗

arXiv2011

Origin of electron-hole asymmetry in the scanning tunneling spectrum of $Bi_2Sr_2CaCu_2O_{8+δ}$

We have developed a material specific theoretical framework for modelling scanning tunneling spectroscopy (STS) of high temperature superconducting materials in the normal as well as the superconducting state. Results for $Bi_2Sr_2CaCu_2O_{8+δ}$ (Bi2212) show clearly that the tunneling process strongly modifies the STS spectrum from the local density of states (LDOS) of the $d_{x^2-y^2}$ orbital of Cu. The dominant tunneling channel to the surface Bi involves the $d_{x^2-y^2}$ orbitals of the four neighbouring Cu atoms. In accord with experimental observations, the computed spectrum displays a remarkable asymmetry between the processes of electron injection and extraction, which arises from contributions of Cu $d_{z^2}$ and other orbitals to the tunneling current.

cond-mat.supr-con↗

arXiv2011

Novel Spin-texture on the warped Dirac-cone surface states in topological insulators

We have investigated the nature of surface states in the Bi2Te3 family of three-dimensional topological insulators using first-principles calculations as well as model Hamiltonians. When the surface Dirac cone is warped due to Dresselhaus spin-orbit coupling in rhombohedral structures, the spin acquires a finite out-of-plane component. We predict a novel in-plane spin-texture of the warped surface Dirac cone with spins not perpendicular to the electron momentum. Our k.p model calculation reveals that this novel in-plane spin-texture requires high order Dresselhaus spin-orbit coupling terms.

cond-mat.mes-hall↗