arXiv subjects

A. Bansil

Publications and source records attributed to A. Bansil.

At least 127 records · Page 7Linked to original sources

arXiv2007

Positron studies of surfaces, structure and electronic properties of nanocrystals

A brief review is given of recent positron studies of metal and semiconductor nanocrystals. The prospects offered by positron annihilation as a sensitive method to access nanocrystal (NC) properties are described and compared with other experimental methods. The tunability of the electronic structure of nanocrystals underlies their great potential for application in many areas. Owing to their large surface-to-volume ratio, the surfaces and interfaces of NCs play a crucial role in determining their properties. Here we focus on positron 2D angular correlation of annihilation radiation (2D-ACAR) and (two-detector) Doppler studies for investigating surfaces and electronic properties of CdSe NCs.

cond-mat.mtrl-sci↗

arXiv2007

Anisotropic softening of collective charge modes in the vicinity of critical doping in a doped Mott insulator

Momentum resolved inelastic resonant x-ray scattering is used to map the evolution of charge excitations over a large range of energies, momenta and doping levels in the electron doped Mott insulator class Nd$_{2-x}$Ce$_x$CuO$_4$. As the doping induced AFM-SC (antiferromagnetic-superconducting) transition is approached, we observe an anisotropic softening of collective charge modes over a large energy scale along the Gamma to (π,π)-direction, whereas the modes exhibit broadening ($\sim$ 1 eV) with relatively little softening along Gamma to (π,0) with respect to the parent Mott insulator (x=0). Our study indicates a systematic collapse of the gap consistent with the scenario that the system dopes uniformly with electrons even though the softening of the modes involves an unusually large energy scale.

cond-mat.str-el↗

arXiv2007

Nodeless d-wave superconducting pairing due to residual antiferromagnetism in underdoped Pr$_{2-x}$Ce$_x$CuO$_{4-δ}$

We have investigated the doping dependence of the penetration depth vs. temperature in electron doped Pr$_{2-x}$Ce$_x$CuO$_{4-δ}$ using a model which assumes the uniform coexistence of (mean-field) antiferromagnetism and superconductivity. Despite the presence of a $d_{x^2-y^2}$ pairing gap in the underlying spectrum, we find nodeless behavior of the low-$T$ penetration depth in underdoped case, in accord with experimental results. As doping increases, a linear-in-$T$ behavior of the penetration depth, characteristic of d-wave pairing, emerges as the lower magnetic band crosses the Fermi level and creates a nodal Fermi surface pocket.

cond-mat.supr-con↗

arXiv2007

Spin moment over 10-300 K and delocalization of magnetic electrons above the Verwey transition in magnetite

In order to probe the magnetic ground state, we have carried out temperature dependent magnetic Compton scattering experiments on an oriented single crystal of magnetite (Fe$_3$O$_4$), together with the corresponding first-principles band theory computations to gain insight into the measurements. An accurate value of the magnetic moment $μ_S$ associated with unpaired spins is obtained directly over the temperature range of 10-300K. $μ_S$ is found to be non-integral and to display an anomalous behavior with the direction of the external magnetic field near the Verwey transition. These results reveal how the magnetic properties enter the Verwey energy scale via spin-orbit coupling and the geometrical frustration of the spinel structure, even though the Curie temperature of magnetite is in excess of 800 K. The anisotropy of the magnetic Compton profiles increases through the Verwey temperature $T_v$ and indicates that magnetic electrons in the ground state of magnetite become delocalized on Fe B-sites above $T_v$.

cond-mat.str-el↗

arXiv2007

Magnetic momentum density, Fermi surface and directional magnetic Compton profiles in LaSr$_{2}$Mn$_{2}$O$_{7}$ and La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$

We have carried out first principles, all-electron computations of the magnetic momentum density $ρ_{mag}({\mathbf p})$ and magnetic Compton profiles (MCPs) for momentum transfer along the [100], [001], and [110] directions in LaSr$_2$Mn$_2$O$_7$ and La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$ within the local spin density approximation (LSDA) based band theory framework. Parallel measurements of these three MCPs from a single crystal of La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$ at 5 K in a magnetic field of 7 T are also reported. $ρ_{mag}({\mathbf p})$ is shown to contain distinct peaks arising from the occupied majority-spin $t_{2g}$ electrons and to display images of the Fermi surface (FS) in the first and higher Brillouin zones (BZs). The overall shape of the MCPs, $J_{mag}(p_z)$, obtained by integrating $ρ_{mag}({\mathbf p})$ over $p_x$ and $p_y$, is found to be dominated by the majority-spin $t_{2g}$ states. The FS-related fine structure in the MCPs is however substantial only in the [100] MCP, which contains features arising from the large majority-spin hole sheets. The overall shapes and widths of the experimental MCPs along all three directions investigated are in reasonably good accord with theoretical predictions, although some discrepancies indicating inadequacy of the LSDA in treating the magnetic states can be identified. We discuss details of the FS-related signatures in the first and higher BZs in the [100] MCP and show that high resolution magnetic Compton scattering experiments with a momentum resolution of 0.1 a.u. FWHM (full-width-at-half-maximum) or better will be necessary to observe this fine structure. We comment also on the feasibility of using positron annihilation spectroscopy in this connection.

cond-mat.str-el↗

arXiv2007

Paramagnon-induced dispersion anomalies in the cuprates

We report the self-energy associated with RPA magnetic susceptibility in the hole-doped Bi_2Sr_2CuO_6 (Bi2201) and the electron-doped Nd_{2-x}Ce_xCuO_4 (NCCO) in the overdoped regime within the framework of a one-band Hubbard model. Strong weight is found in the magnetic spectrum around (pi, 0) at about 360 meV in Bi2201 and 640 meV in NCCO, which yields dispersion anomalies in accord with the recently observed `waterfall' effects in the cuprates.

cond-mat.supr-con↗

arXiv2007

Dispersion anomalies induced by the low-energy plasmon in the cuprates

We discuss the characteristic effects of the electron plasmon interaction resulting from the ~ 1 eV plasmon, which is a universal feature in the cuprates. Using the framework of a one-band tight binding model, we identify signatures of this low energy plasmon in the electronic structure of metallic overdoped Bi2212 as well as half-filled insulating SCOC. The electron-plasmon interaction is found to yield renormalizations near the Fermi energy in reasonable accord with experimental observations, and to produce dispersion anomalies at higher energies.

cond-mat.supr-con↗

arXiv2006

The hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher energy scale, we present improved experimental data from four families of high-Tc superconductors over a wide doping range that reveal a hierarchy of many-body interaction scales focused on: the low energy anomaly ("kink") of 0.03-0.09eV, a high energy anomaly of 0.3-0.5eV, and an anomalous enhancement of the width of the LDA-based CuO2 band extending to energies of ~ 2 eV. Besides their universal behavior over the families, we find that all of these three dispersion anomalies also show clear doping dependence over the doping range presented.

cond-mat.supr-con↗

arXiv2006

Effect of Hole Doping on the Electronic Structure of Tl2201

We discuss doping dependencies of the electronic structure and Fermi surface of the monolayer Tl$_{2-x}$Cu$_x$Ba$_2$CuO$_{6+δ}$ (Tl2201). The TlO bands are found to be particularly sensitive to doping in that these bands rapidly move to higher energies as holes are added into the system. Such doping effects beyond the rigid band picture should be taken into account in analyzing and modeling the electronic spectra of the cuprates.

cond-mat.str-el↗

arXiv2006

Nonmonotonic $d_{x^2-y^2}$ superconducting gap in electron-doped Pr$_{0.89}$LaCe$_{0.11}$CuO$_4$: Evidence of coexisting antiferromagnetism and superconductivity?

Recent experiments on Pr$_{0.89}$LaCe$_{0.11}$CuO$_4$ observe an anisotropic spin-correlation gap and a nonmonotonic superconducting (SC) gap, which we analyze within the framework of a $t-t^{\prime}-t^{\prime\prime}-t^{\prime\prime\prime}-t^{iv}-U$ model with a $d_{x^2-y^2}$ pairing interaction including a third harmonic contribution. By introducing a realistic broadening of the quasiparticle spectrum to reflect small-angle scattering, our computations explain the experimental observations, especially the presence of a maximum in the leading edge gap in the vicinity of the hot-spots. Our analysis suggests that the material behaves like a {\it two-band} superconductor with the d-wave third harmonic acting as the {\it interband pairing gap}, and that the anti-ferromagnetic (AFM) and SC orders co-exist in a uniform phase.

cond-mat.supr-con↗

arXiv2006

Raising Bi-O bands above the Fermi energy level of hole-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ and other cuprate superconductors

The Fermi surface (FS) of Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) predicted by band theory displays Bi-related pockets around the $(π,0)$ point, which have never been observed experimentally. We show that when the effects of hole doping either by substituting Pb for Bi or by adding excess O in Bi2212 are included, the Bi-O bands are lifted above the Fermi energy ($E_F$) and the resulting first-principles FS is in remarkable accord with measurements. With decreasing hole-doping the Bi-O bands drop below $E_F$ and the system self-dopes below a critical hole concentration. Computations on other Bi- as well as Tl- and Hg-based compounds indicate that lifting of the cation-derived band with hole doping is a general property of the electronic structures of the cuprates.

cond-mat.supr-con↗

arXiv2006

Probing Magnetic Gap Collapse within a Three-band Model of Resonant inelastic x-ray scattering (RIXS) in the Cuprates

We present a three-band Hubbard Hamiltonian and the associated Cu K-edge RIXS spectra for electron and hole doped cuprates over a wide range of energy and momentum transfers. By comparing computed spectra for the unfilled case with the corresponding results for 15% electron or hole doping at two different values of the effective Hubbard parameter U, generic signatures of the collapse of the magnetic gap and the characteristic momentum dependencies and evolution of the spectra with doping are identified. Available RIXS data support the gap collapse scenario for electron doped cuprates, but the situation in hole doped systems is found to be less clear.

cond-mat.supr-con↗

arXiv2006

Anomalous electronic correlations in ground state momentum density of Al$_{97}$Li$_3$

We report high resolution Compton scattering measurements on an Al$_{97}$Li$_3$ disordered alloy single crystal for momentum transfer along the [100], [110] and [111] symmetry directions. The results are interpreted via corresponding KKR-CPA (Korringa-Kohn-Rostoker coherent potential approximation) first principles computations. By comparing spectra for Al$_{97}$Li$_3$ and Al, we show that the momentum density in the alloy differs significantly from the predictions of the conventional Fermi liquid picture and that the ground state of Al is modified anomalously by the addition of Li.

cond-mat.mtrl-sci↗

arXiv2005

A spin-polarized scheme for obtaining quasi-particle energies within the density functional theory

We discuss an efficient scheme for obtaining spin-polarized quasi-particle excitation energies within the general framework of the density functional theory (DFT). Our approach is to correct the DFT eigenvalues via the electrostatic energy of a majority or minority spin electron resulting from its interaction with the associated exchange and correlation holes by using appropriate spin-resolved pair correlation functions. A version of the method for treating systems with localized orbitals, including the case of partially filled metallic bands, is considered. Illustrative results on Cu are presented.

cond-mat.str-el↗

arXiv2005

Extracting d-orbital occupancy from magnetic Compton scattering in bilayer manganites

We consider the shape of the magnetic Compton profile (MCP), $J_{mag}(p_z)$, in La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$ for momentum transfer $p_z$ along the [110] direction and the associated reciprocal form factor $B(r)$ defined by taking the one-dimensional Fourier transform of $J_{mag}(p_z)$. $B(r)$ is shown to contain a prominent dip at $r\approx$ 1 $Å$, where the minimum value $B_{min}$ of $B(r)$ can be related to the occupancies of the $e_g$ orbitals of $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ symmetry in the system. We illustrate our procedure in detail by analyzing the measured MCP at 5K and the MCP computed within the framework of the local spin density approximation (LSDA) and comment on the differences between the measured and computed $e_g$ occupancies as a reflection of the limitations of the LSDA in treating electron correlation effects.

cond-mat.str-el↗

arXiv2005

One-band tight-binding model parametrization of the high-$T_c$ cuprates, including the effect of $k_z$-dispersion

We discuss the effects of interlayer hopping and the resulting $k_z$-dispersion in the cuprates within the framework of the one-band tight binding (TB) model Hamiltonian. Specific forms of the dispersion relations in terms of the in-plane hopping parameters $t$, $t'$, $t''$ and $t'''$ and the effective interlayer hopping $t_z$ in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) and Nd$_{2-x}$Ce$_x$CuO$_4$ (NCCO) and the added intracell hopping $t_{bi}$ between the CuO$_2$ bilayers in Bi$_2$Sr$_2$CaCu$_2$O$_{8}$ (Bi2212) are presented. The values of the `bare' parameters are obtained via fits with the first principles LDA-based band structures in LSCO, NCCO and Bi2212. The corresponding `dressed' parameter sets which account for correlation effects beyond the LDA are derived by fitting experimental FS maps and dispersions near the Fermi energy in optimally doped and overdoped systems. The interlayer couplings $t_z$ and $t_{bi}$ are found generally to be a substantial fraction of the in-plane hopping $t$, although the value of $t_z$ in NCCO is anomalously small, reflecting absence of apical O atoms in the crystal structure. Our results provide some insight into the issues of the determination of doping from experimental FS maps in Bi2212, the role of intercell coupling in c-axis transport, and the possible correlations between the doping dependencies of the binding energies of the Van Hove singularities (VHSs) and various prominent features observed in the angle-resolved photoemission (ARPES) and tunneling spectra of the cuprates.

cond-mat.str-el↗

arXiv2005

Evolution of Mid-gap States and Residual 3-Dimensionality in La$_{2-x}$Sr$_x$CuO$_4$

We have carried out extensive first principles doping-dependent computations of angle-resolved photoemission (ARPES) intensities in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) over a wide range of binding energies. Intercell hopping and the associated 3-dimensionality, which is usually neglected in discussing cuprate physics, is shown to play a key role in shaping the ARPES spectra. Despite the obvious importance of strong coupling effects (e.g. the presence of a lower Hubbard band coexisting with mid-gap states in the doped insulator), we show that a number of salient features of the experimental ARPES spectra are captured to a surprisingly large extent when effects of $k_z$-dispersion are properly included in the analysis.

cond-mat.supr-con↗

arXiv2004

Temperature dependent orbital degree of freedom in a bilayer manganite by magnetic Compton scattering

We have measured temperature-dependent magnetic Compton profiles (MCPs) from a single crystal of La$_{1.2}$Sr$_{1.8}$Mn$_2$O$_7$. The MCPs, which involved the scattering of circularly polarized x-rays, are in general related to the momentum density of all the unpaired spins in the system. Nevertheless, we show that when the x-ray scattering vector lies along the [110] direction, the number of magnetic electrons of a specific symmetry, i.e. $d$-electrons of $x^2-y^2$ symmetry, yield a distinct signature in the MCP, allowing us to monitor substantial changes in the occupancy of the $d_{x^2-y^2}$ states over the investigated temperature range of 5-200K. This study indicates that magnetic Compton scattering can provide a powerful window on the properties of specific magnetic electrons in complex materials.

cond-mat.str-el↗