相关论文: Symmetry and magnetic structure determination: Dev…
In this paper, it is presented a novel strategy to optimize the determination of magnetic couplings by using ab-initio calculations of the energy. This approach allows determining efficiently, in terms of a proposed effective magnetic spin…
The spatial symmetry of matter - including finite objects like molecules or atomic clusters, and extended objects like periodic or aperiodic crystals - is described using point groups and space groups. Magnetic point groups and space groups…
The symmetry-constrained response tensors on transport, optical, and electromagnetic effects are of central importance in condensed matter physics because they can guide experimental detections and verify theoretical calculations. These…
We review basic computational techniques for simulations of various magnetic properties of solids. Several applications to compute magnetic anisotropy energy, spin wave spectra, magnetic susceptibilities and temperature dependent…
Tower of States analysis is a powerful tool for investigating phase transitions in condensed matter systems. Spontaneous symmetry breaking implies a specific structure of the energy eigenvalues and their corresponding quantum numbers on…
A general symmetry analysis of the optical conductivity or scattering tensor is used to rewrite the conductivity tensor as a sum of fundamental spectra multiplied by simple functions depending on the local magnetization direction. Using…
Symmetry groups allow to transform solutions of differential equations continuously into other solutions. This property can be used for the observability analysis of infinite-dimensional systems with input and output. In this contribution,…
The point group symmetry of materials is closely related to their physical properties and quite important for material modeling. However, superlattice materials have more complex symmetry conditions than crystals due to their multilevel…
Symmetry analysis can provide a suitable change of variables, i.e., in geometric terms, a suitable diffeomorphism that simplifies the given direction field, which can help significantly in solving or studying differential equations. Roughly…
Many materials such as martensitic or ferromagnetic crystals are observed to be in metastable states exhibiting a fine-scale, structured spatial oscillation called microstructure; and hysteresis is observed as the temperature, boundary…
Magnetism has witnessed remarkable progress in recent decades, largely driven by its potential for next-generation storage devices. However, the classification of magnetic orders, even for fundamental concepts such as ferromagnetism and…
Symmetry plays a fundamental role in understanding natural phenomena and mathematical structures. This work develops a comprehensive theory for studying the persistent symmetries and degree of asymmetry of finite point configurations over…
The computation of the normaliser of a permutation group in the full symmetric group is an important and hard problem in computational group theory. This article reports on an algorithm that builds a descending chain of overgroups to…
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…
We introduce a machine-learning approach (denoted Symmetry Seeker Neural Network) capable of automatically discovering discrete symmetry groups in physical systems. This method identifies the finite set of parameter transformations that…
The advent of computational statistical disciplines, such as machine learning, is leading to a paradigm shift in the way we conceive the design of new compounds. Today computational science does not only provide a sound understanding of…
Nonlinear contraction theory is a comparatively recent dynamic control system design tool based on an exact differential analysis of convergence, in essence converting a nonlinear stability problem into a linear time-varying stability…
Those fundamental physical properties, such as phase transitions, Weyl fermions, and spin excitation, in all magnetic ordered materials, were ultimately believed to rely on the symmetry theory of magnetic space groups. Recently, it has come…
Recent studies identified spin-order-driven phenomena such as spin-charge interconversion without relying on the relativistic spin-orbit interaction. Those physical properties can be prominent in systems containing light magnetic atoms due…
Mathematical diffraction theory is concerned with the analysis of the diffraction image of a given structure and the corresponding inverse problem of structure determination. In recent years, the understanding of systems with continuous and…