相关论文: Magnetic Topological Quantum Chemistry

Correlated electron molecular orbital (CEMO) materials host emergent electronic states built from molecular orbitals localized over clusters of transition metal ions, yet have historically been discovered sporadically and generally been…

Topological photonic crystals have received considerable attention for their ability to manipulate and guide light in unique ways. They are typically designed by hand based on careful analysis of their bands and mode profiles, but recent…

Continuous time crystals (CTCs) are characterized by sustained oscillations that break the time translation symmetry. Since the ruling out of equilibrium CTCs by no-go theorems, the emergence of such dynamical phases has been observed in…

A methodology is developed to identify clusters in a bulk phase which are topologically equivalent to certain reference clusters. The selected reference clusters are the Morse clusters with 13 or less atoms and the 13 atom clusters found in…

We report on the astrophysical properties of a sample of star clusters in the Small Magellanic Cloud (SMC). They have been selected with the aim of looking for the connection between their ages, heliocentric distances and metallicities with…

A charged particle in a uniform magnetic field in a two-dimensional torus has a discrete noncommutative translation symmetry instead of a continuous commutative translation symmetry. We study topology and symmetry of a particle in a…

In this work, we exhaust all the spin-space symmetries, which fully characterize collinear, non-collinear, commensurate, and incommensurate spiral magnetism, and investigate enriched features of electronic bands that respect these…

It is now well-established that the elemental abundance patterns of stars holds key clues not only to their formation but also to the assembly histories of galaxies. One of the most exciting possibilities is the use of stellar abundance…

Chemical tagging promises to use detailed abundance measurements to identify spatially separated stars that were in fact born together (in the same molecular cloud), long ago. This idea has not yielded much practical success, presumably…

Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…

We provide a procedure for generating the irreducible representations of crystallography groups in any dimension. We also furnish a strategy to investigate the topology of the unitary dual of a crystallography group using sequences of…

An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the…

Long-range e.g. Coulomb-like interactions for (quantized) topological charges are observed experimentally in liquid crystals, bringing open question this article is exploring: how far can we take this resemblance with particle physics?…

Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…

Polymorphism, the ability of a compound to crystallize in multiple distinct structures, plays a vital role in determining the physical, chemical, and functional properties of materials. Accurate identification and prediction of polymorphic…

Although superspace formalism has become the standard approach for the analysis of structurally modulated crystals, it has remained during the last thirty years almost unexplored as a practical tool to deal with magnetic incommensurate…

Topological defects (TDs) are crucial for understanding important physical properties of crystalline materials including mechanical failure, ion transport, and two-dimensional melting. This concept has not translated to disordered materials…

Topological textures in magnetically ordered materials are important case studies for fundamental research with promising applications in data science. They can also serve as photonic elements to mold electromagnetic fields endowing them…

We present the first examples of topological phases of matter with uniform power for measurement-based quantum computation. This is possible thanks to a new framework for analyzing the computational properties of phases of matter that is…

The solution to the long standing problem of the cohesion of organic chain compounds is proposed. We consider the tight-binding dielectric matrix with two electronic bands per chain, determine the corresponding hybridized collective modes,…