arXiv subjects

H. R. Krishnamurthy

Publications and source records attributed to H. R. Krishnamurthy.

At least 55 records · Page 3Linked to original sources

arXiv2013

Strong-coupling expansion for ultracold bosons in an optical lattice at finite temperatures in the presence of superfluidity

We develop a strong-coupling ($t \ll U$) expansion technique for calculating the density profile for bosonic atoms trapped in an optical lattice with an overall harmonic trap at finite temperature and finite on site interaction in the presence of superfluid regions. Our results match well with quantum Monte Carlo simulations at finite temperature. We also show that the superfluid order parameter never vanishes in the trap due to proximity effect. Our calculations for the scaled density in the vacuum to superfluid transition agree well with the experimental data for appropriate temperatures. We present calculations for the entropy per particle as a function of temperature which can be used to calibrate the temperature in experiments. We also discuss issues connected with the demonstration of universal quantum critical scaling in the experiments.

cond-mat.quant-gas↗

arXiv2013

Doping a correlated band insulator: A new route to half metallic behaviour

We demonstrate in a simple model the surprising result that turning on an on-site Coulomb interaction U in a doped band insulator leads to the formation of a half-metallic state. In the undoped system, we show that increasing U leads to a first order transition between a paramagnetic, band insulator and an antiferomagnetic Mott insulator at a finite value U_{AF}. Upon doping, the system exhibits half metallic ferrimagnetism over a wide range of doping and interaction strengths on either side of U_{AF}. Our results, based on dynamical mean field theory, suggest a novel route to half-metallic behavior and provide motivation for experiments on new materials for spintronics.

cond-mat.str-el↗

arXiv2012

Quasi-universal transient behavior of a nonequilibrium Mott insulator driven by an electric field

We use a self-consistent strong-coupling expansion for the self-energy (perturbation theory in the hopping) to describe the nonequilibrium dynamics of strongly correlated lattice fermions. We study the three-dimensional homogeneous Fermi-Hubbard model driven by an external electric field showing that the damping of the ensuing Bloch oscillations depends on the direction of the field, and that for a broad range of field strengths, a long-lived transient prethermalized state emerges. This long-lived transient regime implies that thermal equilibrium may be out of reach of the time scales accessible in present cold atom experiments, but shows that an interesting new quasi-universal transient state exists in nonequilibrium governed by a thermalized kinetic energy but not a thermalized potential energy. In addition, when the field strength is equal in magnitude to the interaction between atoms, the system undergoes a rapid thermalization, characterized by a different quasi-universal behavior of the current and spectral function for different values of the hopping.

cond-mat.str-el↗

arXiv2012

Spectral moment sum rules for the retarded Green's function and self-energy of the inhomogeneous Bose-Hubbard model in equilibrium and nonequilibrium

We derive expressions for the zeroth and the first three spectral moment sum rules for the retarded Green's function and for the zeroth and the first spectral moment sum rules for the retarded self-energy of the inhomogeneous Bose-Hubbard model in nonequilibrium, when the local on-site repulsion and the chemical potential are time-dependent, and in the presence of an external time-dependent electromagnetic field. We also evaluate these moments for equilibrium, where all time dependence and external fields vanish. Unlike similar sum rules for the Fermi-Hubbard model, in the Bose-Hubbard model case, the sum rules often depend on expectation values that cannot be determined simply from parameters in the Hamiltonian like the interaction strength and chemical potential, but require knowledge of equal time many-body expectation values from some other source. We show how one can approximately evaluate these expectation values for the Mott-insulating phase in a systematic strong-coupling expansion in powers of the hopping divided by the interaction. We compare the exact moments to moments of spectral functions calculated from a variety of different approximations and use them to benchmark their accuracy.

cond-mat.quant-gas↗

arXiv2011

Synchronous and Asynchronous Mott Transitions in Topological Insulator Ribbons

We address how the nature of linearly dispersing edge states of two dimensional (2D) topological insulators evolves with increasing electron-electron correlation engendered by a Hubbard like on-site repulsion $U$ in finite ribbons of two models of topological band insulators. Using an inhomogeneous cluster slave rotor mean-field method developed here, we show that electronic correlations drive the topologically nontrivial phase into a Mott insulating phase via two different routes. In a synchronous transition, the entire ribbon attains a Mott insulating state at one critical $U$ that depends weakly on the width of the ribbon. In the second, asynchronous route, Mott localization first occurs on the edge layers at a smaller critical value of electronic interaction which then propagates into the bulk as $U$ is further increased until all layers of the ribbon become Mott localized. We show that the kind of Mott transition that takes place is determined by certain properties of the linearly dispersing edge states which characterize the topological resilience to Mott localization.

cond-mat.str-el↗

arXiv2011

Two-channel Kondo physics in odd impurity chains

We study odd-membered chains of spin-(1/2) impurities, with each end connected to its own metallic lead. For antiferromagnetic exchange coupling, universal two-channel Kondo (2CK) physics is shown to arise at low energies. Two overscreening mechanisms are found to occur depending on coupling strength, with distinct signatures in physical properties. For strong inter-impurity coupling, a residual chain spin-(1/2) moment experiences a renormalized effective coupling to the leads; while in the weak-coupling regime, Kondo coupling is mediated via incipient single-channel Kondo singlet formation. We also investigate models where the leads are tunnel-coupled to the impurity chain, permitting variable dot filling under applied gate voltages. Effective low-energy models for each regime of filling are derived, and for even-fillings where the chain ground state is a spin singlet, an orbital 2CK effect is found to be operative. Provided mirror symmetry is preserved, 2CK physics is shown to be wholly robust to variable dot filling; in particular the single-particle spectrum at the Fermi level, and hence the low-temperature zero-bias conductance, is always pinned to half-unitarity. We derive a Friedel-Luttinger sum rule and from it show that, in contrast to a Fermi liquid, the Luttinger integral is non-zero and determined solely by the `excess' dot charge as controlled by gate voltage. The relevance of the work to real quantum dot devices, where inter-lead charge-transfer processes fatal to 2CK physics are present, is also discussed. Physical arguments and numerical renormalization group techniques are used to obtain a detailed understanding of these problems.

cond-mat.str-el↗

arXiv2011

Novel effects of localization due to `intrinsic disorder' in the `two-fluid' model for manganites

We discuss the effects of a novel polaronic disorder in the recently proposed two-fluid model for manganites. Using effective field theory as well as direct numerical simulations, we show that this disorder can have dramatic effects in terms of the transition from ferromagnetic insulator to ferromagnetic metal upon hole-doping, including an Anderson localized regime where variable range hopping may be observed.

cond-mat.str-el↗

arXiv2009

Long Range Coulomb Interactions and Nanoscale Electronic Inhomogeneities in Correlated Oxides

Electronic, magnetic or structural inhomogeneities ranging in size from nanoscopic to mesoscopic scales seem endemic, and are possibly generic, to colossal magnetoresistance manganites and other transition metal oxides. We show here that an extension, to include long range Coulomb interactions, of a quantum two-fluid $\ell-b$ model proposed recently for manganites [Phys. Rev. Lett., {\bf 92}, 157203 (2004)] leads to an excellent description of such inhomogeneities. In the $\ell-b$ model two very different kinds of electronic states, one localized and polaronic ($\ell$), and the other extended or broad band ($b$) co-exist. For model parameters appropriate to manganites, and even within a simple dynamical mean-filed theory (DMFT) framework, it describes many of the unusual phenomena seen in manganites, including colossal magnetoresistance (CMR), qualitatively and quantitatively. However, in the absence of long ranged Coulomb interaction, a system described by such a model would actually phase separate, into macroscopic regions of $l$ and $b$ electrons respectively. As we show in this paper, in the presence of Coulomb interactions, the {\em macroscopic} phase separation gets suppressed, and instead nanometer scale regions of polarons interspersed with band electron puddles appear, constituting a new kind of quantum Coulomb glass. Our work points to an interplay of strong correlations, long range Coulomb interaction and dopant ion disorder as the origin of nanoscale inhomogeneities, rather than disorder frustrated phase competition as is generally believed. Based on this, we argue that the observed micrometer(meso)-scale inhomogeneities owe their existence to extrinsic causes, eg. strain due to cracks and defects. We suggest possible experiments to validate our speculation.

cond-mat.str-el↗

arXiv2009

Strong-coupling expansion for the momentum distribution of the Bose Hubbard model with benchmarking against exact numerical results

A strong-coupling expansion for the Green's functions, self-energies and correlation functions of the Bose Hubbard model is developed. We illustrate the general formalism, which includes all possible inhomogeneous effects in the formalism, such as disorder, or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third-order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator to superfluid transition along with a generalization of the RPA-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions; the accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling theory results are benchmarked against numerically exact QMC simulations in two and three dimensions and against DMRG calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.

cond-mat.other↗

arXiv2009

Synthesis, Structure and Properties of Boron and Nitrogen Doped Graphene

Two-dimensional graphene exhibits many fascinating properties such as ballistic electronic conduction and quantum Hall effect at room temperature.1-4 Graphene doped electrochemically or through charge-transfer with electron-donor and -acceptor molecules,5-7 shows marked changes in electronic structure, with characteristic signatures in the Raman spectra.5-10 Substitutional doping, universally used in tuning properties of semiconductors, could be a powerful tool to control the electronic properties of graphene. Here, we present the structure and properties of boron and nitrogen doped graphenes, obtained by more than one method involving arc discharge in appropriate gaseous atmosphere, by using modified graphite electrode or by the transformation of nano-diamond. Using a combination of experiment and firstprinciples theory, we demonstrate systematic changes in the carrier-concentration and electronic structure of graphenes with B/N-doping, accompanied by stiffening of the Gband and intensification of the defect related D-band in the Raman spectra. Such n/p - type graphenes obtained without external fields or chemical agents should find device applications.

cond-mat.mtrl-sci↗

arXiv2008

Perfect dc conductance of a finite width Mott insulator sandwiched between metallic leads at zero temperature: a quantum emergent phenomenon in strongly correlated multilayers

Using inhomogeneous dynamical mean-field theory, we argue that the normal-metal proximity effect forces any finite number of "barrier" planes that are described by the (paramagnetic) Hubbard model and sandwiched between semi-infinite metallic leads to always be a Fermi liquid at T=0. This then implies that the inhomogeneous system restores lattice periodicity at zero frequency, has a well-defined Fermi surface, and should display perfect (ballistic) conductivity or "transparency". These results are, however, fragile with respect to finite frequency, V, T, disorder, or magnetism, all of which restore the expected quantum tunneling regime through a finite-width Mott insulator. Our formal results are complemented by numerical renormalization group studies on small thickness barriers that illustrate under what circumstances this behavior might be seen in real experimental systems.

cond-mat.str-el↗

arXiv2008

Theoretical description of time-resolved pump/probe photoemission in TaS\_2: a single-band DFT+DMFT(NRG) study within the quasiequilibrium approximation

In this work, we theoretically examine recent pump/probe photoemission experiments on the strongly correlated charge-density-wave insulator TaS\_2. We describe the general nonequilibrium many-body formulation of time-resolved photoemission in the sudden approximation, and then solve the problem using dynamical mean-field theory with the numerical renormalization group and a bare density of states calculated from density functional theory including the charge-density-wave distortion of the ion cores and spin-orbit coupling We find a number of interesting results: (i) the bare band structure actually has more dispersion in the perpendicular direction than in the two-dimensional planes; (ii) the DMFT approach can produce upper and lower Hubbard bands that resemble those in the experiment, but the upper bands will overlap in energy with other higher energy bands; (iii) the effect of the finite width of the probe pulse is minimal on the shape of the photoemission spectra; and (iv) the quasiequilibrium approximation does not fully describe the behavior in this system.

cond-mat.str-el↗

arXiv2008

Theoretical description of time-resolved photoemission spectroscopy: application to pump-probe experiments

The theory for time-resolved photoemission spectroscopy as applied to pump-probe experiments is developed and solved for the generic case of a strongly correlated material. The formal development incorporates all of the nonequilibrium effects of the pump pulse and the finite time width of the probe pulse. While our formal development is completely general, in our numerical illustration for the Hubbard model, we assume the pump pulse drives the electrons into a nonequilibrium configuration, which rapidly thermalizes to create a hot (quasi-equilibrium) electronic system, and we then study the effects of windowing that arise from the finite width of the probe pulse. We find sharp features in the spectra are broadened, particularly the quasiparticle peak of strongly correlated metals at low temperature.

cond-mat.str-el↗

arXiv2008

Canonical Trajectories and Critical Coupling of the Bose-Hubbard Hamiltonian in a Harmonic Trap

Quantum Monte Carlo (QMC) simulations and the Local Density Approximation (LDA) are used to map the constant particle number (canonical) trajectories of the Bose Hubbard Hamiltonian confined in a harmonic trap onto the $(μ/U,t/U)$ phase diagram of the uniform system. Generically, these curves do not intercept the tips of the Mott insulator (MI) lobes of the uniform system. This observation necessitates a clarification of the appropriate comparison between critical couplings obtained in experiments on trapped systems with those obtained in QMC simulations. The density profiles and visibility are also obtained along these trajectories. Density profiles from QMC in the confined case are compared with LDA results.

cond-mat.other↗

arXiv2007

Spectral properties in the charge density wave phase of the half-filled Falicov-Kimball Model

We study the spectral properties of charge density wave (CDW) phase of the half-filled spinless Falicov-Kimball model within the framework of the Dynamical Mean Field Theory. We present detailed results for the spectral function in the CDW phase as function of temperature and $U$. We show how the proximity of the non-fermi liquid phase affects the CDW phase, and show that there is a region in the phase diagram where we get a CDW phase without a gap in the spectral function. This is a radical deviation from the mean-field prediction where the gap is proportional to the order parameter.

cond-mat.str-el↗

arXiv2007

Unusual doping and temperature dependence of photoemission spectra from manganites

A recent, major, puzzle in the core-level photoemission spectra of doped manganites is the observation of a 1-2 eV wide shoulder with intensity varying with temperature T as the square of the magnetization over a T scale of order 200K, an order of magnitude less than electronic energies. This is addressed and resolved here, by extending a recently proposed two electron fluid l-b model for these systems to include core-hole effects. The shoulder arises from a rapid redistribution of e_g electron density, as a function of T, between the highly localized (l) and band-like (b) states. Furthermore, our theory leads to a correspondence between spectral changes due to increasing doping and decreasing T, as experimentally observed.

cond-mat.str-el↗

arXiv2007

Frequency shift of optical phonons in doped graphene layers

We use first-principles density-functional calculations to determine the frequency shift of the A$'_1$-${\bf K}$ phonon (Raman D band) in monolayer graphene, as a function of the charge doping. A detailed DFT study on the electron-phonon coupling and the phonon line width of E$_{2g}$-${\bm Γ}$ and A$'_1$-${\bf K}$ phonons are also performed for graphene multi-layers. Furthermore, we explain the experimentally observed '1/(Number of Layers)' behaviour of the Raman G band position after including the dynamic response treated within time dependent perturbation theory.

cond-mat.mtrl-sci↗

arXiv2006

Dynamics of capacitively coupled double quantum dots

We consider a double dot system of equivalent, capacitively coupled semiconducting quantum dots, each coupled to its own lead, in a regime where there are two electrons on the double dot. Employing the numerical renormalization group, we focus here on single-particle dynamics and the zero-bias conductance, considering in particular the rich range of behaviour arising as the interdot coupling is progressively increased through the strong coupling (SC) phase, from the spin-Kondo regime, across the SU(4) point to the charge-Kondo regime; and then towards and through the quantum phase transition to a charge-ordered (CO) phase. We first consider the two-self-energy description required to describe the broken symmetry CO phase, and implications thereof for the non-Fermi liquid nature of this phase. Numerical results for single-particle dynamics on all frequency scales are then considered, with particular emphasis on universality and scaling of low-energy dynamics throughout the SC phase. The role of symmetry breaking perturbations is also briefly discussed.

cond-mat.str-el↗