arXiv subjects

H. R. Krishnamurthy

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

At least 37 records · Page 2Linked to original sources

arXiv2019

Phonons in Twisted Transition Metal Dichalcogenide Bilayers ("Twistnonics"): Ultra-soft Phasons, and a transition from Superlubric to Pinned Phase

The tunability of the interlayer coupling by twisting one layer with respect to another layer of two-dimensional materials provides a unique way to manipulate the phonons and related properties. We refer to this engineering of phononic properties as "Twistnonics". We study the effects of twisting on low-frequency shear (SM) and layer breathing (LBM) modes in transition metal dichalcogenide (TMD) bilayer using atomistic classical simulations. We show that these low-frequency modes are extremely sensitive to twist and can be used to infer the twist angle. We find unique "ultra-soft" phason modes (frequency $\lesssim 1\ \mathrm{cm^{-1}}$, comparable to acoustic modes) for any non-zero twist, corresponding to an \textit{effective} translation of the moir{é} lattice by relative displacement of the constituent layers in a non-trivial way. Unlike the acoustic modes, the velocity of the phason modes is quite sensitive to twist angle. As twist angle decreases, ($θ\lesssim 3^{\circ},\ \gtrsim 57^{\circ}$) the ultra-soft modes represent the acoustic modes of the "emergent" soft moir{é} scale lattice. Also, new high-frequency SMs appear, identical to those in stable bilayer TMD ($θ= 0\degree/60\degree$), due to the overwhelming growth of stable stacking regions in relaxed twisted structures. Furthermore, we find remarkably different structural relaxation as $θ\to 0^{\circ}$, $\to 60^{\circ}$ due to sub-lattice symmetry breaking. Our study reveals the possibility of an intriguing $θ$ dependent superlubric to pinning behavior and of the existence of ultra-soft modes in \textit{all} two-dimensional (2D) materials.

cond-mat.mtrl-sci↗

arXiv2019

Correlation driven metallic and half-metallic phases in a band insulator

We demonstrate, using dynamical mean-field theory with the hybridization expansion continuous time quantum montecarlo impurity solver, a rich phase diagram with {\em correlation driven metallic and half-metallic phases} in a simple model of a correlated band insulator, namely, the half-filled ionic Hubbard model (IHM) with first {\em and} second neighbor hopping ($t$ and $t'$), an on-site repulsion $U$, and a staggered potential $Δ$. Without $t'$ the IHM has a direct transition from a paramagnetic band insulator (BI) to an antiferromagnetic Mott insulator (AFI) phase as $U$ increases. For weak to intermediate correlations, $t'$ frustrates the AF order, leading to a paramagnetic metal (PM) phase, a ferrimagnetic metal (FM) phase and an anti-ferromagnetic half-metal (AFHM) phase in which electrons with one spin orientation, say up-spin, have gapless excitations while the down-spin electrons are gapped. For $t'$ less than a threshold $ t_1$, there is a direct, first-order, BI to AFI transition as $U$ increases, as for $t'=0$; for $t_4< t' < Δ/2$, the BI to AFI transition occurs via an intervening PM phase. For $t' > Δ/2$, there is no BI phase, and the system has a PM to AFI transition as $U$ increases. In an intermediate-range $t_2 < t' < t_3$, as $U$ increases the system undergoes four transitions, in the sequence BI $\rightarrow$ PM $\rightarrow$ FM $\rightarrow$ AFHM $\rightarrow$ AFI; the FM phase is absent in the ranges of $t'$ on either side, implying three transitions. The BI-PM, FM-AFHM and AFHM-AFI transitions, and a part of the PM-FM transition are continuous, while the rest of the transitions are first order in nature. The PM, FM and the AFHM phases have, respectively, spin symmetric, partially polarized and fully polarized electron [hole] pockets around the ($\pmπ/2$, $\pmπ/2$) [($\pm π, 0$), ($0. \pm π$)] points in the Brillouin zone.

cond-mat.str-el↗

arXiv2019

Is there a superconducting phase in the half-filled ionic Hubbard model ?

We investigate the ionic Hubbard model (IHM) at half-filling in the limit of strong correlations and large ionic potential. The low energy effective Hamiltonian in this limit, obtained by a similarity transformation, is a modified $t-J$ model with effective second neighbour hopping terms. We explore the possibilities of d-wave pairing and extended s-wave pairing superconducting (SC) phases on a two dimensional square lattice at zero temperature within a Gutzwiller projected renormalized mean field theory. In the sector of solutions that forbid spin ordering, the system shows a finite non-zero d-wave as well as extended s-wave pairing amplitude for $Δ\sim U \gg t$. The width of the superconducting phase in $U-Δ$ regime shrinks with increase in $U$ and $Δ$, though the extended s-wave pairing phase is higher in energy than the d-wave pairing superconducting phase. But in a spin resolved renormalized mean field calculation, which allows for an antiferromagnetic (AF) order along with the d-wave or extended s-wave pairing, the SC phase is no longer viable and the system shows a direct transition from an AF ordered phase to a paramagnetic band insulator. Except for a thin sliver of a half-metallic AF phase close to the AF transition point, most of the AF ordered phase is a Mott insulator. We benchmarked the AF Mott insulator to band insulator transition within the Gutzwiller projected renormalized mean field theory against the dynamical mean field theory (DMFT) solved using continuous time quantum Monte-Carlo (CTQMC). Our work suggests that the ground state phase diagram of the IHM at half-filling in the limit of extreme correlations does not have any SC phase. The SC phase seen in the paramagnetic sector is a metastable phase, being higher in energy than the AF Mott insulator phase.

cond-mat.str-el↗

arXiv2018

Reversal of particle-hole scattering-rate asymmetry in Anderson impurity model

We study the particle-hole asymmetry of the scattering rate in strongly correlated electron systems by examining the cubic $ω^3$ and $ωT^2$ terms in the imaginary part of the self-energy of the Anderson impurity model. We show that the sign is opposite in the weak-coupling and strong-coupling limits, explaining the differences found in theoretical approaches taking the respective limits as the starting points. The sign change in fact precisely delineates the cross-over between the weak and strong correlation regimes of the model. For weak interaction $U$ the sign reversal occurs for small values of the doping $δ=1-n$, while for interaction of order $U \approx 2 Γ$, $Γ$ being the hybridization strength, the cross-over curve rapidly shifts to the large-doping range. This curve based on the impurity dynamics is genuinely different from other cross-over curves defined through impurity thermodynamic and static properties.

cond-mat.str-el↗

arXiv2018

Surprises in the t-J model: Implications for cuprates

The t-J model is a paradigmatic model for the study of strongly correlated electron systems. In particular, it has been argued that it is an appropriate model to describe the cuprate high-Tc superconductors. It turns out that a comprehensive understanding of the gamut of physics encoded by the t-J model is still an open problem. In recent years some remarkable experiments on the cuprates, for example, discovery of nodeless superconductivity in underdoped samples (PNAS 109, 18332 (2012)), discovery of s-wave like gap in the pseudogap phase (Phys. Rev. Lett. 111, 107001 (2013)), and observation of polar Kerr effect (PKE) (Phys. Rev. Lett. 112, 047003 (2014)), have thrown up new challenges for this model. Here, we present results demonstrating that, within the slave-particle formulation of the t-J model, the d-wave superconductor is unstable at low doping to its own anti-symmetric phase mode fluctuations when the effect of fluctuations is treated self-consistently. We then show that this instability gives way to a time reversal symmetry broken d + is-SC in the underdoped region which has superfluid stiffness consistent with Uemura relation, even with a large pair amplitude. We show that our results are consistent with existing experiments on cuprates and suggest that Josephson (SQUID interferometry) experiments can clearly distinguish the d+is-SC from a host of other possibilities alluded to be contributing to the physics of underdoped cuprates. We also comment on other theoretical studies vis-a-vis ours.

cond-mat.supr-con↗

arXiv2018

Seebeck Coefficient of a Single van der Waals Junction in Twisted Bilayer Graphene

When two planar atomic membranes are placed within the van der Waals distance, the charge and heat transport across the interface are coupled by the rules of momentum conservation and structural commensurability, leading to outstanding thermoelectric properties. Here we show that an effective "interlayer phonon drag" determines the Seebeck coefficient (S) across the van der Waals gap formed in twisted bilayer graphene (tBLG). The cross-plane thermovoltage, which is non-monotonic in both temperature and density, is generated through scattering of electrons by the out-of-plane layer breathing (ZO'/ZA2) phonon modes and differs dramatically from the expected Landauer-Buttiker formalism in conventional tunnel junctions. The tunability of the cross-plane Seebeck effect in van der Waals junctions may be valuable in creating a new genre of versatile thermoelectric systems with layered solids.

cond-mat.mes-hall↗

arXiv2017

Crucial role of Internal Collective Modes in Underdoped Cuprates

The enigmatic cuprate superconductors have attracted resurgent interest with several recent reports and discussions of competing orders in the underdoped side. Motivated by this, here we address the natural question of fragility of the d-wave superconducting state in underdoped cuprates. Using a combination of theoretical approaches we study t-J like models, and discover an - as yet unexplored - instability that is brought about by an "internal" (anti-symmetric mode) fluctuation of the d-wave state. This new theoretical result is in good agreement with recent STM and ARPES studies of cuprates. We also suggest experimental directions to uncover this physics.

cond-mat.str-el↗

arXiv2016

Ken Wilson - A Tribute: Some recollections and a few thoughts on education

I had the marvelous good fortune to be Ken Wilson's graduate student at the Physics Department, Cornell University, from 1972 to 1976. In this article, I present some recollections of how this came about, my interactions with Ken, and Cornell during this period; and acknowledge my debt to Ken, and to John Wilkins and Michael Fisher, who I was privileged to have as my main mentors at Cornell. I end with some thoughts on the challenges of reforming education, a subject that was one of Ken's major preoccupations in the second half of his professional life.

physics.hist-ph↗

arXiv2016

Constant Matrix Element Approximation to Time-Resolved Angle-Resolved Photoemission Spectroscopy

We describe different approximations associated with employing a constant matrix element for the coupling of light to multiband electrons in the context of time-resolved angle-resolved photoemission spectroscopy (TR-ARPES). In particular, we demonstrate that the constant matrix approximation only holds for one of the coordinate representations, and changing to other bases, requires including nonconstant corrections to the matrix element. We also discuss some simplifying approximations, where a constant matrix element is employed in multiple bases, and the consequences of this further approximation (especially with respect to the TR-ARPES signal no longer being nonnegative). We also discuss issues related to gauge invariance of the final spectra.

cond-mat.str-el↗

arXiv2016

Generalized gradient expansion for inhomogeneous dynamical mean-field theory: Application to ultracold atoms in a harmonic trap

We develop a generalized gradient expansion of the inhomogeneous dynamical mean-field theory method for determining properties of ultracold atoms in a trap. This approach goes beyond the well-known local density approximation and at higher temperatures, in the normal phase, it shows why the local density approximation works so well, since the local density and generalized gradient approximations are essentially indistinguishable from each other (and from the exact solution within full inhomogeneous dynamical mean-field theory). But because the generalized gradient expansion only involves nearest-neighbor corrections, it does not work as well at low temperatures, when the systems enter into ordered phases. This is primarily due to the problem that ordered phases often satisfy some global constraints which determine the spatial ordering pattern, and the local density and generalized gradient approximations are not able to impose those kinds of constraints; they also overestimate the tendency to order. The theory is applied to phase separation of different mass fermionic mixtures represented by the Falicov-Kimball model and to determining the entropy per particle of a fermionic system represented by the Hubbard model. The generalized gradient approximation is a useful diagnostic for the accuracy of the local density approximation---when both methods agree, they are likely accurate, when they disagree, neither is likely to be correct.

cond-mat.quant-gas↗

arXiv2016

Renormalization Group Study of a Fragile Fermi liquid in $1+ε$ dimensions

We present a calculation of the low energy Greens function in $1+ε$ dimensions using the method of extended poor man's scaling, developed here. We compute the wave function renormalization $Z(ω)$ and also the decay rate near the Fermi energy. Despite the lack of $ω^2$ damping characteristic of 3-dimensional Fermi liquids, we show that quasiparticles do exist in $1+ε$ dimensions, in the sense that the quasiparticle weight $Z$ is finite and that the damping rate is smaller than the energy. We explicitly compute the crossover from this behavior to a 1-dimensional type Tomonaga-Luttinger liquid behavior at higher energies.

cond-mat.str-el↗

arXiv2015

Anomalous longitudinal relaxation of nuclear spins in CaF$_2$

We consider the effect of non-secular resonances for interacting nuclear spins in solids which were predicted theoretically to exist in the presence of strong static and strong radio-frequency magnetic fields. These resonances imply corrections to the standard secular approximation for the nuclear spin-spin interaction in solids, which, in turn, should lead to an anomalous longitudinal relaxation in nuclear magnetic resonance experiments. In this article, we investigate the feasibility of the experimental observation of this anomalous longitudinal relaxation in calcium fluoride (CaF$_2$) and conclude that such an observation is realistic.

cond-mat.mes-hall↗

arXiv2015

Phase Diagram of the Half-Filled Ionic Hubbard Model

We study the phase diagram of the ionic Hubbard model (IHM) at half-filling using dynamical mean field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered potential $Δ$ and the on-site Hubbard U. In both the methods we find that for a finite $Δ$ and at zero temperature, anti-ferromagnetic (AFM) order sets in beyond a threshold $U=U_{AF}$ via a first order phase transition below which the system is a paramagnetic band insulator. Both the methods show a clear evidence for a transition to a half-metal phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U. We show that the results obtained within both the methods have good qualitative and quantitative consistency in the intermediate to strong coupling regime. On increasing the temperature, the AFM order is lost via a first order phase transition at a transition temperature $T_{AF}(U, Δ)$ within both the methods, for weak to intermediate values of U/t. But in the strongly correlated regime, where the effective low energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. As a result, at any finite temperature T, DMFT+CTQMC shows a second phase transition (not seen within DMFT+IPT) on increasing U beyond $U_{AF}$. At $U_N > U_{AF}$, when the Neel temperature $T_N$ for the effective Heisenberg model becomes lower than T, the AFM order is lost via a second order transition. In the 3-dimensonal parameter space of $(U/t,T/t,Δ/t)$, there is a line of tricritical points that separates the surfaces of first and second order phase transitions.

cond-mat.str-el↗

arXiv2014

Feshbach modulation spectroscopy

In the vicinity of a Feshbach resonance, a system of ultracold atoms on an optical lattice undergoes rich physical transformations which involve molecule formation and hopping of molecules on the lattice and thus goes beyond a single-band Hubbard model description. We propose to probe the behavior of this system with a harmonic modulation of the magnetic field, and thus of the scattering length, across the Feshbach resonance, as an alternative to lattice-depth modulation spectroscopy. In the regime in which the single-band Hubbard model is still valid, we provide simulation data for this type of spectroscopy. The method may uncover a route towards the efficient creation of ultracold molecules and provides an alternate means for lattice modulation spectroscopy.

cond-mat.quant-gas↗

arXiv2014

Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy

Nonequilibrium calculations in the presence of an electric field are usually performed in a gauge, and need to be transformed to reveal the gauge-invariant observables. In this work, we discuss the issue of gauge invariance in the context of time-resolved angle-resolved pump/probe photoemission. If the probe is applied while the pump is still on, one must ensure that the calculations of the observed photocurrent are gauge invariant. We also discuss the requirement of the photoemission signal to be positive and the relationship of this constraint to gauge invariance. We end by discussing some technical details related to the perturbative derivation of the photoemission spectra, which involve processes where the pump pulse photoexcites electrons due to nonequilibrium effects.

cond-mat.str-el↗

arXiv2014

Theoretical Description of Coherent Doublon Creation via Lattice Modulation Spectroscopy

Using a recently developed strong-coupling method, we present a comprehensive theory for doublon production processes in modulation spectroscopy of a three-dimensional system of ultracold fermionic atoms in an optical lattice with a trap. The theoretical predictions compare well to the experimental time traces of doublon production. For experimentally feasible conditions, we provide a quantitative prediction for the presence of a nonlinear "two-photon" excitation at strong modulation amplitudes.

cond-mat.str-el↗

arXiv2013

Simulation of inhomogeneous distributions of ultracold atoms in an optical lattice via a massively parallel implementation of nonequilibrium strong-coupling perturbation theory

We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a trap potential. Since the theory is formulated self-consistently, the numerical implementation relies on a massively parallel evaluation of the self-energy and the Green's function at each lattice site, employing thousands of CPUs. While the computation of the self-energy is straightforward to parallelize, the evaluation of the Green's function requires the inversion of a large sparse $10^d\times 10^d$ matrix, with $d > 6$. As a crucial ingredient, our solution heavily relies on the smallness of the hopping as compared to the interaction strength and yields a widely scalable realization of a rapidly converging iterative algorithm which evaluates all elements of the Green's function. Results are validated by comparing with the homogeneous case via the local-density approximation. These calculations also show that the local-density approximation is valid in non-equilibrium setups without mass transport.

cond-mat.str-el↗

arXiv2013

Nonequilibrium "melting" of a charge density wave insulator via an ultrafast laser pulse

We employ an exact solution of the simplest model for pump-probe time-resolved photoemission spectroscopy in charge-density-wave systems to show how, in nonequilibrium the gap in the density of states disappears while the charge density remains modulated, and then the gap reforms after the pulse has passed. This nonequilibrium scenario qualitatively describes the common short-time experimental features in TaS2 and TbTe3 indicating a quasiuniversality for nonequilibrium "melting" with qualitative features that can be easily understood within a simple picture.

cond-mat.str-el↗