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Liang Du

Publications and source records attributed to Liang Du.

65 records · Page 4Linked to original sources

Floquet states in (LaNiO$_3$)$_2$/(LaAlO$_3$)$_N$ heterostructures grown along the (111) direction

Using Floquet-Bloch theory we study the effect of circularly and linearly polarized light on the electronic structure of (LaNiO$_3$)$_2$/(LaAlO$_3$)$_N$ heterostructure grown along the (111) direction. In equilibrium, a tight-binding fit to the first principles band structure shows that nearest-neighbor hopping plays a dominant role while second-neighbor hopping breaks the particle-hole symmetry and determines the finer band features. The four bands of the LaNiO$_3$ bilayer exhibit both quadratic band touching points and Dirac points. By varying the amplitude of the incident light, one can independently tune the first and second-neighbor hopping for fixed frequency, which leads to considerable control over the Floquet band structure. We investigate this control in detail, and study how the quadratic and Dirac band touchings are influenced by the polarization and intensity of the light. We derive effective 2-band Hamiltonians (for both quadratic and Dirac band touching points) that accurately captures these results. We further study an extended model which explicitly includes oxygen $p$-orbitals and compare the results to the effective model that contains only the nickel $d$-orbitals. We conclude with a computation of the frequency dependent optical Hall conductivity using the full four band model and analyze the various inter-band contributions of the Floquet modes.

cond-mat.mes-hall↗

Quadratic band touching points and flat bands in two-dimensional topological Floquet systems

In this work we theoretically study, using Floquet-Bloch theory, the influence of circularly and linearly polarized light on two-dimensional band structures with Dirac and quadratic band touching points, and flat bands, taking the nearest neighbor hopping model on the kagome lattice as an example. We find circularly polarized light can invert the ordering of this three band model, while leaving the flat-band dispersionless. We find a small gap is also opened at the quadratic band touching point by 2-photon and higher order processes. By contrast, linearly polarized light splits the quadratic band touching point (into two Dirac points) by an amount that depends only on the amplitude and polarization direction of the light, independent of the frequency, and generally renders dispersion to the flat band. The splitting is perpendicular to the direction of the polarization of the light. We derive an effective low-energy theory that captures these key results. Finally, we compute the frequency dependence of the optical conductivity for this 3-band model and analyze the various interband contributions of the Floquet modes. Our results suggest strategies for optically controlling band structure and interaction strength in real systems.

cond-mat.mes-hall↗

Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting

We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling $N$ and crystal field splitting $Δ$. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials.

cond-mat.str-el↗

Unsupervised Feature Selection with Adaptive Structure Learning

The problem of feature selection has raised considerable interests in the past decade. Traditional unsupervised methods select the features which can faithfully preserve the intrinsic structures of data, where the intrinsic structures are estimated using all the input features of data. However, the estimated intrinsic structures are unreliable/inaccurate when the redundant and noisy features are not removed. Therefore, we face a dilemma here: one need the true structures of data to identify the informative features, and one need the informative features to accurately estimate the true structures of data. To address this, we propose a unified learning framework which performs structure learning and feature selection simultaneously. The structures are adaptively learned from the results of feature selection, and the informative features are reselected to preserve the refined structures of data. By leveraging the interactions between these two essential tasks, we are able to capture accurate structures and select more informative features. Experimental results on many benchmark data sets demonstrate that the proposed method outperforms many state of the art unsupervised feature selection methods.

cs.LG↗

$i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit

Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open source interacting quantum impurity solver toolkit (dubbed $i$QIST). This package contains several highly optimized quantum impurity solvers which are based on the hybridization expansion continuous-time quantum Monte Carlo algorithm, as well as some essential pre- and post-processing tools. We first introduce the basic principle of continuous-time quantum Monte Carlo algorithm and then discuss the implementation details and optimization strategies. The software framework, major features, and installation procedure for $i$QIST are also explained. Finally, several simple tutorials are presented in order to demonstrate the usage and power of $i$QIST.

cond-mat.str-el↗

Heterogeneous Metric Learning with Content-based Regularization for Software Artifact Retrieval

The problem of software artifact retrieval has the goal to effectively locate software artifacts, such as a piece of source code, in a large code repository. This problem has been traditionally addressed through the textual query. In other words, information retrieval techniques will be exploited based on the textual similarity between queries and textual representation of software artifacts, which is generated by collecting words from comments, identifiers, and descriptions of programs. However, in addition to these semantic information, there are rich information embedded in source codes themselves. These source codes, if analyzed properly, can be a rich source for enhancing the efforts of software artifact retrieval. To this end, in this paper, we develop a feature extraction method on source codes. Specifically, this method can capture both the inherent information in the source codes and the semantic information hidden in the comments, descriptions, and identifiers of the source codes. Moreover, we design a heterogeneous metric learning approach, which allows to integrate code features and text features into the same latent semantic space. This, in turn, can help to measure the artifact similarity by exploiting the joint power of both code and text features. Finally, extensive experiments on real-world data show that the proposed method can help to improve the performances of software artifact retrieval with a significant margin.

cs.LG↗

Robust topological insulator surface conduction under strong surface disorder

Topological insulators are characterized by specially protected conduction on their outer boundaries. We show that the protected edge conduction exhibited by 2-D topological insulators (and also Chern insulators) is independent of non-magnetic boundary disorder. In particular, the edge states residing inside the bulk gap remain conducting even when edge state inhomogeneities destroy the characteristic linear Dirac relation between energy and momentum. The main effects of boundary disorder on the in-gap states are to decrease the Fermi velocity, increase the density of states, pull the states into the disordered region if spin is conserved, and at very large disorder shift the states to the boundary between the disordered edge and the clean bulk. These effects, which may be useful for device engineering, are controlled by a resonance between the disordered edge and the bulk bands. The resonance's energy is set by the bulk band width; protection of the in-gap edge states' plane-wave character is controlled by the bulk band width, not the bulk band gap.

cond-mat.mes-hall↗

Metal-insulator transition in three-band Hubbard model with strong spin-orbit interaction

Recent investigations suggest that both spin-orbit coupling and electron correlation play very crucial roles in the $5d$ transition metal oxides. By using the generalized Gutzwiller variational method and dynamical mean-field theory with the hybridization expansion continuous time quantum Monte Carlo as impurity solver, the three-band Hubbard model with full Hund's rule coupling and spin-orbit interaction terms, which contains the essential physics of partially filled $t_{2g}$ sub-shell of $5d$ materials, is studied systematically. The calculated phase diagram of this model exhibits three distinct phase regions, including metal, band insulator and Mott insulator respectively. We find that the spin-orbit coupling term intends to greatly enhance the tendency of the Mott insulator phase. Furthermore, the influence of the electron-electron interaction on the effective strength of spin-orbit coupling in the metallic phase is studied in detail. We conclude that the electron correlation effect on the effective spin-orbit coupling is far beyond the mean-field treatment even in the intermediate coupling region.

cond-mat.str-el↗

The electronic structure of NaIrO$_3$, Mott insulator or band insulator?

Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit coupling (SOC) by using the newly developed local density approximation plus Gutzwiller method. Our theoretical study proposes the metal-insulator transition can be generated by two different physical pictures: renormalized band insulator or Mott insulator regime. For the realistic material parameters in NaIrO$_3$, Coulomb interaction $U=2.0 (J=U/4)$ eV and SOC strength $η=0.33$ eV, it tends to favor the renormalized band insulator picture as revealed by our study.

cond-mat.str-el↗

Kernel polynomial representation of imaginary-time Green's functions

Inspired by the recent proposed Legendre orthogonal polynomial representation of imaginary-time Green's functions, we develop an alternate representation for the Green's functions of quantum impurity models and combine it with the hybridization expansion continuous-time quantum Monte Carlo impurity solver. This representation is based on the kernel polynomial method, which introduces various integral kernels to filter fluctuations caused by the explicit truncations of polynomial expansion series and improve the computational precision significantly. As an illustration of the new representation, we reexamine the imaginary-time Green's functions of single-band Hubbard model in the framework of dynamical mean-field theory. The calculated results suggest that with carefully chosen integral kernels the Gibbs oscillations found in previous orthogonal polynomial representation have been suppressed vastly and remarkable corrections to the measured Green's functions have been obtained.

cond-mat.str-el↗

Complete phase diagram for three-band Hubbard model with orbital degeneracy lifted by crystal field splitting

Motivated by the unexplored complexity of the phase diagrams for multi-orbital Hubbard models, a three-band Hubbard model at integer fillings (N=4) with orbital degeneracy lifted partially by crystal field splitting is analyzed systematically in this work. By using single site dynamical mean-field theory and rotationally invariant Gutzwiller approximation, we have computed the full phase diagram with Coulomb interaction strength $U$ and crystal field splitting $Δ$. We find a large region in the phase diagram, where an orbital selective Mott phase will be stabilized by the positive crystal field lifting the orbital degeneracy. Further analysis indicates that the Hund's rule coupling is essential for the orbital selective Mott phase and the transition toward this phase is accompanied by a high-spin to low-spin transition. Such a model may be relevant for the recently discovered pnictides and ruthenates correlated materials.

cond-mat.str-el↗