Related papers: Predicting magnetism with first-principles AI
Monte Carlo simulation results are reported on magnetic ordering in ABC stacked Kagom\'{e} layers with fcc symmetry for both XY and Heisenberg models which include exchange interactions with the eight near-neighbors. Well known degeneracies…
We study interaction-induced localization of electrons in an inhomogeneous quasi-one-dimensional system--a wire with two regions, one at low density and the other high. Quantum Monte Carlo techniques are used to treat the strong Coulomb…
Magnetoresistance (MR) in magnetic materials arises from spin-exchange coupling between local moments and itinerant electrons, representing a challenging many-body open-quantum problem. Here we develop a comprehensive microscopic theory of…
Antiferromagnets are magnetically ordered materials which exhibit no net moment and thus are insensitive to magnetic fields. Antiferromagnetic spintronics aims to take advantage of this insensitivity for enhanced stability, while at the…
Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global minimum is challenging, and heuristic methods are not always…
Understanding the effects of electron-electron interactions in half metallic magnets (HMs), which have band structures with one gapped spin channel and one metallic channel, poses fundamental theoretical issues as well as having importance…
The following electromagnetism (EM) inverse problem is addressed. It consists in estimating local radioelectric properties of materials recovering an object from global EM scattering measurements, at various incidences and wave frequencies.…
We present the first correlated-electron theory of metamagnetism in strongly anisotropic antiferromagnets. Quantum-Monte-Carlo techniques are used to calculate the field vs. temperature phase diagram of the infinite-dimensional Hubbard…
We diagonalize the quantum two-dimensional spin-1/2 Heisenberg model with Dzyaloshinskii-Moriya interaction (DMI) by applying the variational quantum eigensolver, running on a quantum-computer simulator, which turns out to be a more…
Two-dimensional semiconductor moir\'e materials have emerged as a highly controllable platform to simulate and explore quantum condensed matter. Compared to real solids, electrons in semiconductor moir\'e materials are less strongly…
The essence of atomic structure theory, quantum chemistry, and computational materials science is solving the multi-electron stationary Schr\"odinger equation. The Quantum Monte Carlo-based neural network wave function method has surpassed…
Magnetism - the spontaneous alignment of atomic moments in a material - is driven by quantum-mechanical `exchange' interactions which operate over atomic distances as a result of the fundamental symmetry of electrons. Currently, one of the…
In this work we conduct a numerical search of non-trivial mechanisms, leading to new tendencies towards long-range ferromagnetic ordering in two-dimensional materials. For this purpose we employ an original variant of pairwise infinitesimal…
Magnetic order is a fundamental property of materials, governing collective behavior and enabling a broad range of functionalities. Yet magnetic structure remains difficult to determine: experiments are costly and specialized, while…
Conducting and magnetic properties of a material often change in some confined geometries. However, a situation where a non-magnetic semiconductor becomes both metallic and magnetic at the surface is quite rare, and to the best of our…
The interaction between the itinerant spins in metals and localized spins in magnetic insulators thus far has only been explored in collinear spin systems, such as garnets. Here, we report the spin-Hall magnetoresistance (SMR) sensitive to…
The Hofstadter-Hubbard model captures the physics of strongly correlated electrons in an applied magnetic field, which is relevant to many recent experiments on Moir\'e materials. Few large-scale, numerically exact simulations exists for…
The emergence of moir\'e materials, such as twisted transition-metal dichalcogenides (TMDs), has created a fertile ground for discovering novel quantum phases of matter. However, solving many-electron problems in moir\'e systems presents…
The magnetic order resulting from an indirect exchange between magnetic moments in the metallic phase of a Ga(1-x)Mn(x)As bilayered structure is studied "via" Monte Carlo simulation. The coupling mechanism involves a perturbative…
Transition metal dichalcogenide moir\'e homobilayers have emerged as a platform in which magnetism, strong correlations, and topology are intertwined. In a large magnetic field, the energetic alignment of states with different spin in these…