arXiv subjects

Nagamalleswararao Dasari

Publications and source records attributed to Nagamalleswararao Dasari.

17 recordsLinked to original sources

arXiv2026

Momentum-Selective Electron and Spin Dynamics under Ultrafast Photoexcitation

Recent advances in time-resolved spectroscopies have enabled direct access to the momentum-selective nonequilibrium dynamics of correlated quantum materials, revealing a strongly momentum-dependent response of electrons and collective excitations. Interpreting these observations requires a real-time theoretical framework that consistently captures the interplay between strong local electronic correlations and nonlocal collective fluctuations, a capability that remains beyond state-of-the-art nonequilibrium approaches. Using a recently developed real-time many-body framework, we resolve the momentum-selective ultrafast dynamics of a photoexcited correlated electron system. We predict a transient nodal-antinodal anisotropy in electronic heating, providing a microscopic explanation for the momentum-dependent response debated in time-resolved photoemission and Raman experiments, and identify the nonthermal spectral-weight transfer responsible for the transient antinodal in-gap states observed in ultrafast photoemission. We further uncover a momentum-selective magnetic response, in which antiferromagnetic fluctuations undergo a strongly nonthermal, quench-like excitation far above the electronic temperature while preserving their correlation length, before relaxing through a momentum-space magnon cascade toward lower-momentum modes. Finally, by tracking the real-time local spin susceptibility, we identify a dynamical, experimentally accessible signature of local-moment formation and its photoinduced melting. Our results establish a unified microscopic picture of ultrafast electronic and magnetic dynamics, providing a framework for interpreting momentum-resolved pump-probe experiments.

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arXiv2026

Nonlocal Correlation Effects in dc and Optical Conductivity of the Hubbard Model

Conductivity is one of the most direct probes of electronic systems, yet its theoretical description remains challenging in the presence of strong non-local correlations. In this Letter, we analyze the conductivity of the half-filled single-band Hubbard model and identify the role of spatial correlations across the Mott transition. We show that in the correlated metallic regime, an accurate description of the conductivity requires not only the correct spectral function but also the inclusion of complex multi-electron processes encoded in vertex corrections. The crossover to the Mott insulating regime is marked by a vanishing contribution of vertex corrections to the DC conductivity. However, in the Mott insulating case, vertex corrections remain significant for the optical conductivity.

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arXiv2025

Interplay of strong correlations and covalency in ionic band insulators

We address the role of electronic correlations in different kinds of band insulators by using the two-orbital Hubbard model within the dynamical mean-field theory (DMFT). An intriguing finding is that electronic correlations turn a metal into a band insulator when ionicity and covalency are equal in ratio.We conclude that the electronic correlations favour metallicity when the covalency is smaller than the ionicity, while they favour insulating behaviour when the covalency is greater than ionicity.

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arXiv2025

Electron-magnon dynamics triggered by an ultrashort laser pulse: A real-time Dual $GW$ study

Ultrafast irradiation of correlated electronic systems triggers complex dynamics involving quasi-particle excitations, doublons, charge carriers, and spin fluctuations. To describe these effects, we develop an efficient non-equilibrium approach, dubbed D-$GW$, that enables a self-consistent treatment of local correlations within dynamical mean-field theory (DMFT) and spatial charge and spin fluctuations, that are accounted for simultaneously within a diagrammatic framework. The method is formulated in the real-time domain and provides direct access to single- and two-particle momentum- and energy-dependent response functions without the need for analytical continuation, which is required in Matsubara frequency-based approaches. We apply the D-$GW$ method to investigate the dynamics of a photo-excited extended Hubbard model, the minimal system that simultaneously hosts strong charge and spin fluctuations. Focusing on the challenging parameter regime near the Mott transition, we demonstrate that correlated metals and narrow-gap Mott insulators undergo distinct thermalization processes involving complex energy transfer between single-particle and collective electronic excitations.

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arXiv2021

Memory truncated Kadanoff-Baym equations

The Keldysh formalism for nonequilibrium Green's functions is a powerful theoretical framework for the description of the electronic structure, spectroscopy, and dynamics of strongly correlated systems. However, the underlying Kadanoff-Baym equations (KBE) for the two-time Keldysh Green's functions involve a memory kernel which results in a high computational cost for long simulation times $t_\text{max}$, with a cubic scaling of the computation time with $t_\text{max}$. Truncation of the memory kernel can reduce the computational cost to linear scaling with $t_\text{max}$, but the required memory times will depend on the model and the diagrammatic approximation to the self-energy. We explain how a truncation of the memory kernel can be incorporated into the time-propagation algorithm to solve the KBE, and investigate the systematic truncation of the memory kernel for the Hubbard model in different parameter regimes, and for different diagrammatic approximations. The truncation is easier to control within dynamical mean-field solutions, where it is applied to a momentum-independent self-energy. Here, simulation times up to two orders of magnitude longer are accessible both in the weak and strong coupling regime, allowing for a study of long-time phenomena such as the crossover between pre-thermalization and thermalization dynamics.

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arXiv2020

Ultrafast dynamics in relativistic Mott insulators

We study the photoinduced ultrafast dynamics in relativistic Mott insulators, i.e., Mott insulators with strong spin-orbit coupling. For this purpose, we consider a minimal one-band Hubbard model on lattices with square and triangular symmetries, as relevant for layered transition metal compounds such as Sr$_2$IrO$_4$. Depending on the lattice and the spin-orbit coupling, the systems have canted antiferromagnetic or $120^\circ$ order. They are excited by simulating a short laser pulse, and the dynamics is solved using nonequilibrium dynamical mean-field theory. The pulse generates hot carriers, which subsequently perturb the magnetic order due to the coupling between the collective order and photocarriers. We find that this dynamics, which is known form regular antiferromagnets, depends sensitively on the spatial structure of the spin-orbit coupling. On the triangular lattice, in particular, relaxation times are influenced by the spin-orbit coupling for the chiral $120^\circ$ order, while on the square lattice with canted antiferromagnetic order the spin-orbit induced canting angle remains unchanged after the excitation. Our study opens up new possibilities of controlling magnetism and exotic spin states on the ultrafast timescales.

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arXiv2020

A photo-induced strange metal with electron and hole quasi-particles

Photo-doping of Mott insulators or correlated metals can create an unusual metallic state which simultaneously hosts hole-like and electron-like particles. We study the dynamics of this state up to long times, as it passes its kinetic energy to the environment. When the system cools down, it crosses over from a bad metal into a resilient quasiparticle regime, in which quasiparticle bands are formed with separate Fermi levels for electrons and holes, but quasiparticles do not yet satisfy the Fermi liquid paradigm. Subsequently, the transfer of energy to the environment slows down significantly, and the system does not reach the Fermi liquid state even on the timescale of picoseconds. The transient photo-doped strange metal exhibits unusual properties of relevance for ultrafast charge and heat transport: In particular, there can be an asymmetry in the properties of electrons and holes, and strong correlations between electrons and holes, as seen in the spectral properties.

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arXiv2019

Revealing Hund's multiplets in Mott insulators under strong electric fields

We investigate the strong-field dynamics of a paramagnetic two-band Mott insulator using real-time dynamical mean-field theory. A dielectric breakdown occurs due to many-body Landau-Zener tunnelling, with a threshold field determined by the gap. For a large range of fields, however, we predict that the tunnelling currents are small enough to allow the observation of field-induced localization of electrons, which becomes most strikingly evident in atomic-like local spin multiplets determined by the Hund's coupling $J$. This field-induced localization might provide a way of measuring the value of $J$ in correlated materials. It should be observable in transition metal oxides using time-resolved photo-emission spectroscopy or optical measurements in the presence of strong THz field transients.

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arXiv2019

Ultra-fast electric field controlled spin-fluctuations in the Hubbard model

Highly intense electric field pulses can move the electronic momentum occupation in correlated metals over large portions of the Brillouin zone, leading to phenomena such as dynamic Bloch oscillations. Using the non-equilibrium fluctuation-exchange approximation for the two-dimensional Hubbard model, we study how such non-thermal electron-distributions drive collective spin and charge fluctuations. Suitable pulses can induce a highly anisotropic modification of the occupied momenta, and the corresponding spin dynamics results in a transient change from antiferromagnetic to anisotropic ferromagnetic correlations. To good approximation this behavior is understood in terms of an instantaneous response of the spin fluctuations to the single-particle properties, opposite to the conventional time-scale separation between spin and electron dynamics.

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arXiv2018

Transient Floquet engineering of superconductivity

Intense time-periodic laser fields can transform the electronic structure of a solid into strongly modified Floquet-Bloch bands. While this suggests multiple pathways to induce electronic orders such as superconductivity or charge density waves, the possibility of preparing low-energy phases of Floquet Hamiltonians remains unclear because of the energy absorption at typical experimentally accessible driving frequencies. Here we investigate a realistic pathway towards laser control of electronic orders, which is the transient enhancement of fluctuating orders. Using a conserving Keldysh Green's function formalism, we simulate the build-up of short range Cooper-pair correlations out of a normal metal in the driven attractive Hubbard model. Even for frequencies only slightly above or within the bandwidth, a substantial enhancement of correlations can be achieved before the system reaches a high electronic temperature. This behavior relies on the non-thermal nature of the driven state. The effective temperature of the electrons at the Fermi surface, which more closely determines the superconducting correlations, remains lower than an estimate from the global energy density. Even though short ranged, the fluctuations can have marked signatures in the electronic spectra.

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arXiv2018

Emergent Strange Nodal Metallicity from Orbital-Selective Mott Physics

While a specific kind of strange metal is increasingly found to be the "normal" states in a wide variety of unconventional superconductors, its microscopic origin is presently a hotly debated enigma. Using dynamical mean-field theory (DMFT) based on hybridization expansion of continuous-time quantum Monte-Carlo (CTQMC) solver for an extended two-band Hubbard model (2BHM), we investigate the conditions underlying the emergence of such a metal. Specifically, we tie strange metallicity to an orbital-selective Mottness in 2BHM or momentum-selective Mott phase (OSMP) in 2D Hubbard models inspired by a cluster-to-orbital mapping. We find $(i)$ disparate spin and charge responses, $(ii)$ fractional power-law behavior and $ω/T$-scaling in the charge and spin fluctuation responses, and $(iii)$ very good accord with optical conductivity and nuclear magnetic relaxation rates in the slightly underdoped normal states of cuprates and Fe-arsenides. We analyze the local problem using bosonization to show that such anomalous responses arise from a lattice orthogonality catastrophe specifically in the OSMP. Our work establishes the intimate link between strange metallicity and selective Mottness in quantum matter.

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arXiv2018

Photo-excited states in correlated band insulators

We study the photo-excitation dynamics of correlated band insulators, using non-equilibrium dynamical mean-field theory for the ionic Hubbard model. We find two distinct behaviors, depending on the ratio of the on-site interaction $U$ and the bare band gap $Δ$. For small interactions, the relaxation is characterized by intra-band carrier scattering in relatively rigid bands, leading to a non-thermal intermediate state with separate thermal distributions of electrons and holes. This behavior can be viewed as typical for a band insulator with weak interactions. For larger interaction, on the other hand, we observe a strong modification of the electronic spectrum and a filling-in of the gap after photo-excitation, along with a rapid thermalization of the system. The two behaviors therefore provide a dynamical distinction of a correlated band insulator and a band-insulator, which can differ even when the spectra of the two systems are similar in equilibrium. The crossover happens when the interaction $U$ is comparable to $Δ$.

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arXiv2017

Quantum critical local spin dynamics near the Mott metal-insulator transition in infinite dimensions

Finding microscopic models for metallic states that exhibit quantum critical properties such as $ω/T$ scaling is a major theoretical challenge. We calculate the local dynamical spin susceptibility $χ(T,ω)$ for a Hubbard model at half filling using Dynamical Mean-Field Theory, which is exact in infinite dimensions. Qualitatively distinct behavior is found in the different regions of the phase diagram: Mott insulator, Fermi liquid metal, bad metal, and a quantum critical region above the finite temperature critical point. The signature of the latter is $ω/T$ scaling where $T$ is the temperature. Our results are consistent with previous results showing scaling of the dc electrical conductivity and are relevant to experiments on organic charge transfer salts.

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arXiv2016

A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems

Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally inexpensive, with real frequency output at zero and finite temperatures, compensate for their deficiencies and offer a quick, qualitative analysis of the system behavior. In this work, we have developed a method, that can be classified as a multi-orbital iterative perturbation theory (MO-IPT) to study N-fold degenerate and non degenerate Anderson impurity models. As applications of the solver, we have combined the method with dynamical mean field theory to explore lattice models like the single orbital Hubbard model, covalent band insulator and the multi-orbital Hubbard model for density-density type interactions in different parameter regimes. The Hund's coupling effects in case of multiple orbitals is also studied. The limitations and quality of results are gauged through extensive comparison with data from the numerically exact continuous time quantum Monte Carlo method (hybridization expansion CTQMC). In general we observe that the agreement with CTQMC results gets better as we move away from particle-hole symmetry. We have integrated MO-IPT with density functional theory based electronic structure methods to study real material systems. As a test case, we have studied the classic, strongly correlated electronic material, SrVO$_3$. A comparison of density of states and photo emission spectrum (PES) with results obtained from different impurity solvers and experiments yields good agreement.

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arXiv2015

A first principles investigation of cubic BaRuO$_3$: A Hund's metal

A first-principles investigation of cubic-BaRuO$_3$, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum Monte-Carlo solver, has been carried out. Non-magnetic calculations with appropriately chosen on-site Coulomb repulsion, $U$ and Hund's exchange, $J$, for single-particle dynamics and static susceptibility show that cubic-BaRuO$_3$ is in a spin-frozen state at temperatures above the ferromagnetic transition point. A strong red shift with increasing $J$ of the peak in the real frequency dynamical susceptibility indicates a dramatic suppression of the Fermi liquid coherence scale as compared to the bare parameters in cubic-BaRuO$_3$. The self-energy also shows clear deviation from Fermi liquid behaviour that manifests in the single-particle spectrum. Such a clean separation of energy scales in this system provides scope for an incoherent spin-frozen (SF) phase, that extends over a wide temperature range, to manifest in non-Fermi liquid behaviour and to be the precursor for the magnetically ordered ground state.

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arXiv2015

Quantum critical dynamics of a magnetic impurity in a semiconducting host

We have investigated the finite temperature dynamics of the singlet to doublet continuous quantum phase transition in the gapped Anderson impurity model using hybridization expansion continuous time quantum Monte-Carlo. Using the self-energy and the longitudinal static susceptibility, we obtain a phase diagram in the temperature-gap plane. The separatrix between the low temperature local moment phase and the high temperature generalized Fermi liquid phase of this phase diagram is shown to be the lower bound of the critical scaling region of the zero gap quantum critical point of interacting type. We have computed the nuclear magnetic spin-lattice relaxation rate, the Knight shift and the Korringa ratio, which show strong deviations for any non-zero gap from the corresponding quantities in the gapless Kondo screened impurity case.

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arXiv2015

Weak ferromagnetism and magnetization reversal in YFe$_{1-x}$Cr$_x$O$_3$

We present combined experimental and theoretical studies on the magnetic properties of a solid solution between yttrium orthoferrite and yttrium orthochromite systems, YFe$_{1-x}$Cr$_x$O$_3$ (0 $\leq$ x $\leq$ 1) where Fe$^{3+}$ and Cr$^{3+}$ ions are distributed randomly at the same crystallographic site (4b). We found that all the compositions exhibit weak ferromagnetism below the Néel temperature that decreases non-linearly with increasing $x$, while certain intermediate compositions ($x = 0.4,0.5$) show a compensation point and magnetization reversal. This unusual behavior is explained based on a simple model comprising the isotropic superexchange and the antisymmetric Dzyaloshinskii-Moriya interactions. This model explains the magnetization behavior in the entire range of doping and temperature including the magnetization reversal which results from an interplay of various DM interactions such as, Fe-O-Fe, Cr-O-Cr and Fe-O-Cr.

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