arXiv subjects

N. S. Vidhyadhiraja

Publications and source records attributed to N. S. Vidhyadhiraja.

At least 37 records · Page 2Linked to original sources

arXiv2020

Effect of short-ranged spatial correlations on the Anderson localization of phonons in mass-disordered systems

We investigate the effect of spatially correlated disorder on the Anderson transition of phonons in three dimensions using a Greens function based approach, namely, the typical medium dynamical cluster approximation (TMDCA), in mass-disordered systems. We numerically demonstrate that correlated disorder with pairwise correlations mitigates the localization of the vibrational modes. A correlation driven localization-delocalization transition can emerge in a three-dimensional disordered system with an increase in the strength of correlations.

cond-mat.dis-nn↗

arXiv2020

Fragility of the Kondo insulating gap against disorder: relevance to recent puzzles in topological Kondo insulators

Kondo insulators are strongly correlated system in which a clean insulating gap emerges only at very low temperature due to many-body effects involving localized $f$-electrons. However, certain Kondo insulators, like SmB$_6$ and Ce${_3}$Bi${_4}$Pt${_3}$, display metallic behaviors at extremely low temperatures, that have defied current understanding. Recent advances in topological effects in materials has raised the attention on the protected surface states in these "topological Kondo insulators" as a potential resolution to some of the puzzling behaviors. Here we resolve these puzzles via a different route, by showing that the emergent Kondo insulating scale is extremely vulnerable against moderate degree of disorder, such that the gap is filled with a small number of states. Therefore, the real samples are probably never truly insulating and this in turn compromises the essential building block of topological considerations. Our results suggest strongly that systems like the Slater insulators would be a more promising direction to extend the realm of topology to strongly correlated systems.

cond-mat.str-el↗

arXiv2019

Localization of phonons in mass disordered alloys - A typical medium dynamical cluster approach

The effect of disorder on lattice vibrational modes has been a topic of interest for several decades. In this work, we employ a Green's function based approach, namely the dynamical cluster approximation (DCA), to investigate phonons in mass disordered systems. Detailed benchmarks with previous exact calculations are used to validate the method in a wide parameter space. An extension of the method, namely the typical medium DCA (TMDCA), is used to study Anderson localization of phonons in three dimensions. We show that, for binary isotopic disorder, lighter impurities induce localized modes beyond the bandwidth of the host system, while heavier impurities lead to a partial localization of the low-frequency acoustic modes. For a uniform (box) distribution of masses, the physical spectrum is shown to develop long tails comprising mostly localized modes. The mobility edge separating extended and localized modes, obtained through the TMDCA, agrees well with results from the transfer matrix method. A re-entrance behavior of the mobility edge with increasing disorder is found that is similar to, but somewhat more pronounced than, the behavior in disordered electronic systems. Our work establishes a new computational approach, which recovers the thermodynamic limit, is versatile and computationally inexpensive, to investigate lattice vibrations in disordered lattice systems.

cond-mat.dis-nn↗

arXiv2019

Phonon localization in binary alloys with diagonal and off-diagonal disorder: A cluster Green's function approach

We report the development and application of a new method for carrying out computational investigations of the effects of mass and force-constant (FC) disorder on phonon spectra. The method is based on the recently developed typical medium dynamical cluster approach (TMDCA), which is a Green's function approach. Excellent quantitative agreement with previous exact diagonalization results establishes the veracity of the method. Application of the method to a model system of binary mass and FC-disordered system leads to several findings. A narrow resonance, significantly below the van Hove singularity, that has been termed as the boson peak, is seen to emerge for low soft particle concentrations. We show, using the typical phonon spectrum, that the states constituting the boson peak cross over from being completely localized to being extended as a function of increasing soft particle concentration. In general, an interplay of mass and FC disorder is found to be cooperative in nature, enhancing phonon localization over all frequencies. However, for certain range of frequencies, and depending on material parameters, FC disorder can delocalize the states that were localized by mass disorder, and vice-versa. Modeling vacancies as weakly bonded sites with vanishing mass, we find that vacancies, even at very low concentrations, are extremely effective in localizing phonons. Thus, inducing vacancies is proposed as a promising route for efficient thermoelectrics. Finally, we use model parameters corresponding to the alloy system, Ni1-xPtx, and show that mass disorder alone is insufficient to explain the pseudogap in the phonon spectrum; the concomitant presence of FC disorder is necessary.

cond-mat.dis-nn↗

arXiv2018

Systematic Quantum Cluster Typical Medium Method For the Study of Localization in Strongly Disordered Electronic Systems

Great progress has been made in the last several years towards understanding the properties of disordered electronic systems. In part, this is made possible by recent advances in quantum effective medium methods which enable the study of disorder and electron-electronic interactions on equal footing. They include dynamical mean field theory and the coherent potential approximation, and their cluster extension, the dynamical cluster approximation. Despite their successes, these methods do not enable the first-principles study of the strongly disordered regime, including the effects of electronic localization. The main focus of this review is the recently developed typical medium dynamical cluster approximation for disordered electronic systems. This method has been constructed to capture disorder-induced localization, and is based on a mapping of a lattice onto a quantum cluster embedded in an effective typical medium, which is determined self-consistently. Here we provide an overview of various recent applications of the typical medium dynamical cluster approximation to a variety of models and systems, including single and multi-band Anderson model, and models with local and off-diagonal disorder. We then present the application of the method to realistic systems in the framework of the density functional theory.

cond-mat.dis-nn↗

arXiv2018

Emergence of non-Fermi liquid dynamics through non-local correlations in an interacting disordered system

We provide strong evidence of a quantum critical point (QCP) associated with the destruction of Kondo screening in the Anderson-Hubbard model for interacting electrons with quenched disorder. A unique crossover energy scale, $ω^*$ separating the Fermi liquid and non-Fermi liquid (nFL) scattering dynamics on the metallic side of the quantum critical fan is identified. The scale vanishes at the disorder driven QCP. We interpret our results by measuring the distribution of Kondo scales and find that the QCP occurs when this distribution acquires a finite intercept, indicating a Kondo destruction scenario, albeit distinct from the local QCP picture. The nFL behavior is shown to stem from an interplay of strong electron-electron interactions and the systematic inclusion of short-range dynamical fluctuations induced by the underlying random potential. The results have been obtained through a computational framework based on the typical medium dynamical cluster approximation.

cond-mat.str-el↗

arXiv2018

On the Nature of Localization in Ti doped Si

Intermediate band semiconductors hold the promise to significantly improve the efficiency of solar cells, but only if the intermediate impurity band is metallic. We apply a recently developed first principles method to investigate the origin of electron localization in Ti doped Si, a promising candidate for intermediate band solar cells. Although Anderson localization is often overlooked in the context of intermediate band solar cells, our results show that in Ti doped Si it plays a more important role in the metal insulator transition than Mott localization. Implications for the theory of intermediate band solar cells are discussed.

cond-mat.dis-nn↗

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.

cond-mat.str-el↗

arXiv2017

Scaling analysis of the extended single impurity Anderson model: Renormalization due to valence fluctuations

In this paper we have explored the role of valence fluctuations in an extended Anderson impurity model (e-SIAM) in which there is an additional Hubbard repulsion between conduction and impurity electrons, employing perturbative renormalization methods. We have calculated the scaling equations for the model parameters and solved them both analytically and numerically to find how valence fluctuations renormalize these parameters. Analytical solutions of the scaling equations yielded scaling invariants of the model which we find to be different than the Anderson impurity model signifying different kind of scaling trajectories of e-SIAM. The strong coupling physics of SIAM is known to be governed by spin fluctuations and we hence analysed how the strong coupling regime of e-SIAM is renormalized by valence fluctuations. Doing a third order perturbative renormalization of the model gave us access to the Kondo scale. We not only confirmed that valence fluctuations enhance the Kondo scale but we also calculated the functional form of this dependence. Benchmarking some of our results with numerical renormalization group calculations, we found excellent agreement. Applying Schrieffer-Wolff transformation, we found that the strong coupling regime of the model is governed by spin-charge Kondo model unlike the Anderson impurity model. Our results suggest that spin Kondo effect can co-exist with valence fluctuation mediated charge Kondo effect.

cond-mat.str-el↗

arXiv2017

The Calculation of Two-Particle Quantities in the Typical Medium Dynamical Cluster Approximation

The mean-field theory for disordered electron systems without interaction is widely and successfully used to describe equilibrium properties of materials over the whole range of disorder strengths. However, it fails to take into account the effects of quantum coherence and information of localization. Vertex corrections due to multiple back-scatterings may drive the electrical conductivity to zero and make expansions around the mean field in strong disorder problematic. Here, we present a method for the calculation of two-particle quantities which enable us to characterize the metal-insulator transitions (MIT) in disordered electron systems by using the Typical Medium Dynamical Cluster Approximation (TMDCA). We show how to include vertex corrections and the information about the mobility edge to the typical mean-field theory. We successfully demonstrate the application of the developed method by showing that the conductivity formulated in this way properly characterizes the MIT in disordered systems.

cond-mat.dis-nn↗

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.

cond-mat.str-el↗

arXiv2016

Generalized Multiband Typical Medium Dynamical Cluster Approximation: Application to (Ga,Mn)N

We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce a new ansatz for the angle resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga$_{1-x}$Mn$_x$N, and find the impurity band is completely localized for Mn concentrations $x<0.03$ while for $0.03 <x<0.10$ the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit ($x\approx 0.10$) due to Anderson localization. However, for $0.03 <x<0.10$ hole doping could make the system metallic allowing double exchange mediated, or enhanced, ferromagnetism. The developed method is expected to have a large impact on first-principles studies of Anderson localization.

cond-mat.dis-nn↗

arXiv2016

Methods for Finding Analytic Solutions for Time Dependent Two-Level Quantum Systems and Its Generalizations

Two-level systems are one of the most important quantum systems and they form the basis of quantum computers. We briefly look at the traditional approach to two-level systems with an external driving field as well as those subjected to noise. This project is aimed at studying two specific methods for obtaining analytic solutions for two-level systems. One of the methods enables us to obtain analytic solutions for driven time-dependent two-level systems while the other attempts to give exact solution of qubit decoherence using a transfer matrix method. A thorough study of both papers is done and results are reproduced. The latter method is generalized for a qutrit system as well as a two qubit system subjected to noise. A general method is formally derived for an N-dimensional quantum system and the difficulties in applying the method in real life systems is discussed.

quant-ph↗

arXiv2016

Quantum critical Mott transitions in a bilayer Kondo insulator-metal model system

A bilayer system comprising a Kondo insulator coupled to a simple metal (KI-M) is considered. Employing the framework of dynamical mean field theory, the model system is shown to exhibit a surface of quantum critical points (QCPs), that separates a Kondo screened, Fermi liquid phase from a local moment, Mott insulating phase. The quantum critical nature of these Mott transitions is characterized by the vanishing of (a) the coherence scale on the Fermi liquid side, and (b) the Mott gap on the MI side. In contrast to the usual `large to small' Fermi surface (FS) QCPs in heavy fermion systems, the bilayer KI-M system exhibits a complete FS destruction.

cond-mat.str-el↗

arXiv2016

A local theory for Mott-Anderson localization

The paramagnetic metallic phase of the Anderson-Hubbard model (AHM) is investigated using a non-perturbative local moment approach within the framework of dynamical mean field theory with a typical medium. Our focus is on the breakdown of the metallic phase near the metal-insulators transition as seen in the single-particle spectra, scattering rates and the associated distribution of Kondo scales. We demonstrate the emergence of a universal, underlying low energy scale, $T_K^{peak}$. This lies close to the peak of the distribution of Kondo scales obtained within the metallic phase of the paramagnetic AHM. Spectral dynamics for energies, $ω\lesssim T_K^{peak}$ display Fermi liquid universality crossing over to an incoherent universal dynamics for $ω\gg T_K^{peak}$ in the scaling regime. Such universal dynamics indicate that within a local theory the low to moderately low energy physics is governed by an effective, {\it disorder renormalised} Kondo screening.

cond-mat.str-el↗

arXiv2016

Feasibility of a metamagnetic transition in correlated systems

The long-standing issue of the competition between the magnetic field and the Kondo effect, favoring, respectively, triplet and singlet ground states is addressed using a cluster slave-rotor mean field theory for the Hubbard model and its spin-correlated, spin-frustrated extensions in 2 dimension. The metamagnetic jump is established and compared with earlier results of dynamical mean-field theory. The present approach also reproduces the emergent super-exchange energy scale in the insulating side. A scaling is found for the critical Zeeman field in terms of the intrinsic coherence scale just below the metal-insulator transition where the critical spin fluctuations are soft. The conditions for metamagnetism to appear at a reasonable field are also underlined. The Gutzwiller analysis on the 2D Hubbard model and a quantum Monte Carlo calculation on the Heisenberg spin system are performed to check the limiting cases of the cluster slave-rotor results for the Hubbard model. Low-field scaling features for magnetization are discussed.

cond-mat.str-el↗

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.

cond-mat.str-el↗

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.

cond-mat.str-el↗