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Precise control of multiple spin states on the atomic scale presents a promising avenue for designing and realizing magnetic switches. Despite substantial progress in recent decades, the challenge of achieving control over multiconfigurational reversible s ...
We demonstrate that a spin current flowing through a nanocontact into a uniaxial antiferromagnet with first- and second-order anisotropy can excite a self-localized dynamic magnetic soliton, known as a spin-wave droplet in ferromagnets. The droplet nucleat ...
Recent surging interest in strengthening of High Entropy Alloys (HEAs) with possible chemical ordering motivates the development of new theory. Here, an existing theory for random alloys that accounts for solute-dislocation and solute–solute interactions i ...
Why are materials with specific characteristics more abundant than others? This is a fundamental question in materials science and one that is traditionally difficult to tackle, given the vastness of compositional and configurational space. We highlight he ...
Through the use of the piecewise-linearity condition of the total energy, we correct the self-interaction for the study of polarons by constructing nonempirical functionals at the semilocal level of theory. We consider two functionals, the gamma DFT and mu ...
Consider the wave equation with heterogeneous coefficients in the homogenization regime. At large times, the wave interacts in a nontrivial way with the heterogeneities, giving rise to effective dispersive effects. The main achievement of the present wor ...
The activation of prismatic slip in Mg and its alloys can be beneficial for deformation and forming. Experiments show that addition of Zn and Al solutes have a softening effect at/below room temperature, attributed to solutes facilitating basal-prism-basal ...
Lanthanides are versatile modulators of optoelectronic properties owing to their narrow optical emission spectra across the visible and near-infrared range. Their use in metal halide perovskites (MHPs) has recently gained prominence, although their fate in ...
We microscopically analyze the nearest-neighbor Heisenberg model on the maple leaf lattice through neural quantum state (NQS) and infinite density matrix renormalization group (iDMRG) methods. Embarking to parameter regimes beyond the exact dimer singlet g ...
BiFeO3 is a ferroelectric with a Curie temperature of 830 C-degrees, however, its piezoelectric performance at high temperature remains unclear. The current work reveals a disappearance/recovery of piezoelectricity in BiFeO3 at elevated temperature and upo ...
