MXenes are a rapidly growing family of 2D transition metal carbides and nitrides that are
promising for various applications, including energy storage and conversion, electronics …

Two-dimensional (2D) altermagnetism was recently proposed to be attainable in twisted
antiferromagnetic bilayers providing an experimentally feasible approach to realize it in 2D …

Abstract Machine Learned Interatomic Potentials (MLIPs) combine the predictive power of
Density Functional Theory (DFT) with the speed and scaling of interatomic potentials …

The interplay between magnons and phonons and its influences on magnon dissipation
have attracted widespread attentions. Whereas the previous theoretical works were usually …

Summary The Temperature Dependent Effective Potential (TDEP) method is a versatile and
efficient approach to include temperature in ab initio materials simulations based on phonon …

The accurate description of phonon dispersion of two-dimensional (2D) materials
demonstrates significance in many research fields of condensed matter physics. In this …

Acoustic phonons in piezoelectric materials strongly couple to electrons through a
macroscopic electric field. We show that this coupling leads to a momentum-dependent …

Janus transition metal-dichalcogenide materials have attracted a great deal of attention due
to their remarkable physical properties arising from the two-dimensional geometry and the …

Ferroelastic materials possess two or more equally stable orientation variants and can be
effectively modulated via external fields, including stress and electronic field. In this paper …

Hydrogen-rich structures have recently gained attention as a candidate for room-
temperature superconductors. Hydrogen has high phonon frequencies and can be an ideal …