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At the 2D limit, hexagonal systems such as monolayer transition metal dichalcogenides (TMDs) and graphene exhibit unique coupled spin and momentum-valley physics (valley pseudospin) owing to broken spatial inversion symmetry and strong…

Topological semimetal states having the minimal number, i.e., only a single pair, of Weyl points are desirable for the study of effects associated with chiral topological charges. So far, the search for such states is focused on magnetic…

One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to efficiently optimize this search, exploring the immense…

Condensed matter systems provide a rich setting to realize Dirac and Majorana fermionic excitations and the possibility to manipulate them in materials for potential applications. Recently, it has been proposed that Weyl fermions, which are…

Polynomial machine learning potentials (MLPs) based on polynomial rotational invariants have been systematically developed for various systems and applied to efficiently predict crystal structures. In this study, we propose a robust…

In the time-reversal-breaking centrosymmetric systems, the appearance of Weyl points can be guaranteed by an odd number of all the even/odd parity occupied bands at eight inversion-symmetry-invariant momenta. Here, based on symmetry…

Three-dimensional Weyl fermions are found to emerge from simple cubic lattices with staggered fluxes. The mechanism is to gap the quadratic band touching by time-reversal-symmetry-breaking hoppings. The system exhibits rich phase diagrams…

In rectangle packing problems we are given the task of placing axis-aligned rectangles in a given plane region, so that they do not overlap with each other. In Maximum Weight Independent Set of Rectangles (MWISR), their position is given…

Based on the dimension of degeneracy, topological electronic systems can roughly be divided into three parts: nodal point, line and surface materials corresponding to zero-, one- and two-dimensional degeneracy, respectively. In parallel to…

Topological Lifshitz phase transition characterizes an abrupt change of the topology of the Fermi surface through a continuous deformation of parameters. Recently, Lifshitz transition has been predicted to separate two types of Weyl points:…

Two-dimensional (2D) materials have disrupted materials science due to the development of van der Waals technology. It enables the stacking of ultrathin layers of materials characterized by vastly different electronic structures to create…

Many-body perturbation theory methods, such as the $G_0W_0$ approximation, are able to accurately predict quasiparticle (QP) properties of several classes of materials. However, the calculation of the QP band structure of two-dimensional…

Weyl fermions have recently been observed in several time-reversal-invariant semimetals and photonics materials with broken inversion symmetry. These systems are expected to have exotic transport properties such as the chiral anomaly.…

The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However,…

As one of Weyl semimetals discovered recently, NbP exhibits two groups of Weyl points with one group lying inside the $k_z=0$ plane and the other group staying away from this plane. All Weyl points have been assumed to be type-I, for which…

Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter. Using Kinetically Limited Minimization (KLM), an unconstrained…

Three-dimensional condensed matter incarnations of Weyl fermions generically have a tilted dispersion---in sharp contrast with their elusive high-energy relatives where a tilt is forbidden by Lorentz invariance, and with the low-energy…

Low-energy electrons near Dirac/Weyl nodal points mimic massless relativistic fermions. However, as they are not constrained by Lorentz invariance, they can exhibit tipped-over type-II Dirac/Weyl cones which provide highly anisotropic…

2D object proposals, quickly detected regions in an image that likely contain an object of interest, are an effective approach for improving the computational efficiency and accuracy of object detection in color images. In this work, we…

Spin and valley are two fundamental properties of electrons in crystals. The similarity between them is well understood in valley-contrasting physics established decades ago in two-dimensional (2D) materials like graphene--with broken…