Related papers: Predicting magnetism with first-principles AI
The single crystalline form of an insulator, Sr$_3$CuIrO$_{6+\delta}$, is shown to exhibit unexpectedly more than one magnetic transition (at 5 and 19 K) with spin-glass-like magnetic susceptibility behaviour. On the basis of this finding,…
The prediction of ultra-low magnetic damping in Co 2 MnZ Heusler half-metal thin-film magnets is explored in this study and the damping response is shown to be linked to the underlying electronic properties. By substituting the Z elements…
We study a one-dimensional antiferromagnetic-elastic model with magnetic ions having spin $S=3/2$. By extensive DMRG computations and complementary analytical methods, we uncover a first-order transition from a homogeneous or…
We study electron transport in monolayer molybdenum disulfide MoS$_2$ subjected to a magnetic barrier. Our analysis employs a full-band continuum model to capture the relevant physical phenomena. We focus on how electron energy, magnetic…
We show that nano-scale variations of the order parameter in strongly-correlated systems can induce local spatial regions such as domain walls that exhibit electronic properties representative of a different, but nearby, part of the phase…
We develop the theory of magnetoresistance oscillations in layered quasi-two-dimensional (quasi-2D) metals. Using the Kubo-Streda formula, we calculate the Hall intralayer conductivity in a magnetic field perpendicular to conducting layers.…
We investigate spin and orbital states of the two-orbital Hubbard model on a square lattice by using a variational Monte Carlo method at quarter-filling, i.e., the electron number per site is one. As a variational wave function, we consider…
Composite multiferroics are materials exhibiting the interplay of ferroelectricity, magnetism, and strong electron correlations. Typical example --- magnetic nano grains embedded in a ferroelectric matrix. Coupling of ferroelectric and…
Recent studies highlight the scientific importance and broad application prospects of two-dimensional (2D) sliding ferroelectrics, which prevalently exhibit vertical polarization with suitable stackings. It is crucial to understand the…
Spin gapped metals have recently emerged as promising candidates for spintronic and nanoelectronic applications, enabling functionalities such as sub-60mV/dec switching, negative differential resistance, and non-local spin-valve effects in…
Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…
The resistivity in magnetic materials has been theoretically shown to depend on the spin-spin correlation function which in turn depends on the magnetic-field, the density of conduction electron, the magnetic ordering stability, etc.…
Two-dimensional (2D) van der Waals (vdW) multiferroics offer an attractive platform for four-state nonvolatile memory by combining switchable ferroelectric polarization and magnetization within a single material system. However, their…
The research landscape of magnetism has been recently enriched by the discovery of altermagnetism. It is an unconventional phase of matter characterized by a d-wave (or higher even-parity-wave) collinear compensated spin ordering, which…
Using a Monte Carlo (MC) method, we study an effective model for the Fe(II)Fe(III) bimetallic oxalates. Within a hybrid quantum-classical MC algorithm, the Heisenberg S=2 and $S'=5/2$ spins on the Fe(II) and Fe(III) sites are updated using…
Magnetoelectric (ME) effect, the phenomenon of inducing magnetization by application of an electric field or vice versa, holds great promise for magnetic sensing and switching applications. Studies of the ME effect have so far focused on…
Finding accurate solutions to the Schr\"odinger equation is the key unsolved challenge of computational chemistry. Given its importance for the development of new chemical compounds, decades of research have been dedicated to this problem,…
Automation and high-throughput characterization and synthesis for material development are becoming increasingly common; these approaches require machine learning (ML) tools to assess material properties, ideally based on a single…
Detailed mean field and Monte Carlo studies of the dynamic magnetization-reversal transition in the Ising model in its ordered phase under a competing external magnetic field of finite duration have been presented here. Approximate…
Parameters of the energy gap and, consequently, electronic, magnetic and galvanomagnetic properties in different X$_2$YZ Heusler alloys can vary quite strongly. In particular, half-metallic ferromagnets (HMFs) and spin gapless…