相关论文: Machine learning for phase ordering dynamics of ch…

Frustrated itinerant magnets often exhibit complex noncollinear or noncoplanar magnetic orders which support topological electronic structures. A canonical example is the anomalous quantum Hall state with a chiral spin order stabilized by…

Disordered elemental semiconductors, most notably a-C and a-Si, are ubiquitous in a myriad of different applications. These exploit their unique mechanical and electronic properties. In the past couple of decades, density functional theory…

The concept of a Charge Density Wave (CDW) permeates much of condensed matter physics and chemistry. Conceptually, CDWs have their origin rooted in the instability of a one-dimensional system described by Peierls. The extension of this…

Charge-density-wave (CDW) materials having a strong electron-phonon coupling provide a powerful platform for investigating the intricate interplay between lattice fluctuations and a macroscopic quantum order. Using time- and angle-resolved…

We study ordered phases with broken translational symmetry in the half-filled three-orbital Hubbard model with antiferromagnetic Hund coupling by means of dynamical mean-field theory (DMFT) and continuous-time quantum Monte Carlo…

Using first-principle Hybrid-Monte-Carlo (HMC) simulations, we carry out an unbiased study of the competition between spin-density wave (SDW) and charge-density wave (CDW) order in the extended Hubbard model on the two dimensional hexagonal…

The density operator in the Luttinger model consists of two components, one of which describes long-wave fluctuations and the other is related to the rapid oscillations of the charge-density-wave (CDW) type, caused by short-range electron…

Determining the ground state properties of the two-dimensional Hubbard model has remained an outstanding problem. Applying recent advances in constrained path auxiliary-field quantum Monte Carlo techniques and simulating large rectangular…

We present a scalable machine learning (ML) framework for large-scale kinetic Monte Carlo (kMC) simulations of itinerant electron Ising systems. As the effective interactions between Ising spins in such itinerant magnets are mediated by…

Charge density wave (CDW) orders in YNiC2 are studied by means of combined experimental and computational techniques. On the experimental side, single crystals grown by the floating-zone method were examined by means of X-ray diffraction,…

We suggest a theory for a deformable and sliding charge density wave (CDW) in the Hall bar geometry for the quantum limit when the carriers in remnant small pockets are concentrated at lowest Landau levels (LL) forming a fractionally…

We study the competition between pinning of a charge density wave (CDW) by random distributed impurities and a periodic potential of the underlying crystal lattice. In d=3 dimensions, we find for commensurate phases of order p>p_c\approx…

Exploring supersolidity in naturally occurring and artificially designed systems has been and will continue to be an area of immense interest. Here, we study how superfluid and charge-density-wave (CDW) states cooperate or compete in a…

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

The computational method of discrete dislocation dynamics (DDD), used as a coarse-grained model of true atomistic dynamics of lattice dislocations, has become of powerful tool to study metal plasticity arising from the collective behavior…

Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…

First principle calculations of charge transfer in DNA molecules are computationally expensive given that charge carriers migrate in interaction with intra- and inter-molecular atomic motion. Screening sequences, e.g. to identify excellent…

Charge density wave (CDW) phases are symmetry-reduced states of matter in which a periodic modulation of the electronic charge frequently leads to drastic changes of the electronic spectrum, including the emergence of energy gaps. We…

We discuss the first theory for the depinning of low dimensional, incommensurate, charge density waves (CDWs) in the strong electron-phonon (e-p) regime. Arguing that most real CDWs systems invariably develop a gigantic dielectric constant…

Charge density waves (CDWs) are collective electronic states that can reshape and melt, even while confined within a rigid atomic crystal. In two dimensions, melting is predicted to be distinct, proceeding through partially ordered nematic…