Related papers: Predicting magnetism with first-principles AI
Smoothly varying magnetization textures such as domain walls, skyrmions or hopfions serve as promising candidates for the information bits of the future. Understanding their physical properties is both a major field of interest and a…
A spin version of transistor, where magnetism is used to influence electrical behaviors of the semiconductor, has been a long-pursued device concept in spintronics. In this work, we experimentally study a field-effect transistor with CrSBr,…
It is demonstrated that itinerant-localized transition of heavy electrons occurs inside the magnetically ordered phase of the Kondo-Heisenberg lattice. The phase diagram and electronic structure are derived by means of the continuous-time…
Magnetization processes of the spin-1/2 antiferromagnetic $XXZ$ model in two and three spatial dimensions are studied using quantum Monte Carlo method based on stochastic series expansions. Recently developed operator-loop algorithm enables…
Two-dimensional (2D) half-metallic materials are of great interest for their promising applications in spintronics. Although numerous of 2D half-metals have been proposed theoretically, rarely of them can be synthesized experimentally.…
We solve the double exchange model in the presence of arbitrary substitutional disorder by using a self consistently generated effective Hamiltonian for the spin degrees of freedom. The magnetic properties are studied through classical…
Owing to the unique features of low Gilbert damping, long spin-diffusion lengths and zero Ohmic losses, magnetic insulators are promising candidate materials for next-generation spintronic applications. However, due to the localized…
Magnetic and electronic properties of the recently-discovered material Sr8CaRe3Cu4O24 were investigated by means of a quantum Monte Carlo simulation, the Green function method and the LSDA+U (local spin-density approximation plus the…
Using the conventional approach of superposing plane waves, it is not possible to create a strictly isotropic turbulent magnetic field structure that obeys all physical constraints, which are (i) equal mean of all magnetic field components;…
Previous works have controversially claimed near-room temperature ferromagnetism in two-dimensional (2D) VSe$_2$, with conflicting results throughout the literature. These discrepancies in magnetic properties between both phases (T and H…
According to the recent studies on sliding/moire ferroelectricity, most 2D van der Waals nonferroelectric monolayers can become ferroelectric via multilayer stacking. In this paper we propose that similar strategy can be used to induce…
Machine Learning (ML) has impacted numerous areas of materials science, most prominently improving molecular simulations, where force fields were trained on previously relaxed structures. One natural next step is to predict material…
Recently discovered 2D van der Waals magnetic materials, and specifically Iron-Germanium-Telluride ($\rm Fe_{5}GeTe_{2}$), have attracted significant attention both from a fundamental perspective and for potential applications. Key open…
Magnetic materials are typically described in terms of the Heisenberg model, which provides an accurate account of thermodynamic properties when combined with first principles calculations. This approach is usually based on an energy…
The recent observations of ferromagnetic order in several two-dimensional (2D) materials have generated an enormous interest in the physical mechanisms underlying 2D magnetism. In the present prospective article we show that Density…
This discussion serves as an introduction to the use of Monte Carlo simulations as a useful way to evaluate the observables of a ferromagnet. Key background is given about the relevance and effectiveness of this stochastic approach and in…
Magnetic two-dimensional materials have potential application in next-generation electronic devices and have stimulated extensive interest in condensed matter physics and material fields. However, how to realize high-temperature…
Predicting magnetism originating from 2$p$ orbitals is a delicate problem, which depends on the subtle interplay between covalency and Hund's coupling. Calculations based on density functional theory and the local spin density approximation…
We propose a general framework for finding the ground state of many-body fermionic systems by using feed-forward neural networks. The anticommutation relation for fermions is usually implemented to a variational wave function by the Slater…
Altermagnets represent a newly identified third class of collinear magnets and have recently emerged as a focal point in condensed matter physics. In this work, through first-principles calculations and theoretical analysis, we identify…