材料科学
Antiferromagnetic (AFM) materials possess a well-recognized potential for ultrafast data processing thanks to their intrinsic ultrafast spin dynamics, absence of stray fields, and large spin transport effects. The very same properties,…
The hydrogen positions and magnetic structure of goethite $\alpha$-FeOOH, a key component of iron rust, were examined through neutron diffraction. All symmetry-allowed magnetic structures under the space group $Pnma$ with the magnetic…
Machine learning interatomic potentials (MLIPs) enable large-scale atomistic simulations but remain challenged in describing mixed-valence materials where charge ordering strongly influences thermodynamic stability. Here we investigate the…
The changes in magnetic properties of Ce(Fe0.9Co0.1)2 compound with increasing disorder are discussed in the paper. Homogeneous alloys are known to undergo the phase transition from ferromagnetic to antiferromagnetic state accompanied by…
Monolayer transition metal dichalcogenides are a suitable platform for studying excitonic coherence in the light-matter coupling regime. We present an ab initio time-dependent GW-Bethe-Salpeter equation (GW-BSE) investigation of coherent…
Heteroepitaxy conventionally relies on rigid crystalline substrates, implicitly assuming that lattice and thermal mismatch must be accommodated within the epitaxial layer, leading to residual strain and defects that worsen with increasing…
Van der Waals (vdW) layered materials with long-range magnetic order have the potential to enable novel optoelectronic and spintronic applications. Among these, CrSBr is an air-stable, direct band gap semiconductor that hosts interlayer…
We investigate the magnetization dynamics of $TmFeO_3$ single crystals across the spin-reorientation phase transition using broadband microwave absorption spectroscopy up to 87.5 GHz. Temperature- and magnetic-field-dependent…
Hydrogen-based magneto-ionics is a promising approach for rapid magnetoelectric control of spintronic devices. Most investigations so far into the magneto-ionic manipulation of rare-earth transition-metal alloys have used electrochemical…
Short mid-infrared laser pulses efficiently facilitate ultrafast manipulation of ferroic order parameters, including full reversal of magnetization or ferroelectric polarization, with the invoked mechanisms relating to the properties of…
Alumina (Al$_{2}$O$_{3}$) is a key material for thin-film growth and heterogeneous catalysis, where the atomic surface structure critically impacts performance. Using noncontact atomic force microscopy (nc-AFM) combined with density…
Information units are progressively approaching the fundamental physical limits of the integration density, including in terms of extremely small sizes, multistates and probabilistic traversal. However, simultaneously encompassing all of…
Large language models (LLMs) exhibit substantial potential across diverse scientific disciplines, including materials science. A property prediction framework, ZEBRA-Prop (Zero-Shot Embedding-Based Rapid and Accessible Regression Model for…
Proton exchange membrane fuel cells (PEMFCs) are a promising clean energy technology, offering high efficiency and near-zero operational emissions for stationery and automotive applications. However, their widespread adoption remains…
The paper proposes a theoretical approach to modeling the key characteristics of highly efficient gallium arsenide-based solar cells (SCs), using a one-dimensional SC model. The following recombination mechanisms are considered in the…
S-doped graphyne (S-GY) is a recently synthesized two-dimensional graphyne-based carbon allotrope that provides a promising platform for exciton engineering and coherent many-body phases. Here, we investigate the quasiparticle electronic…
We report on antiferromagnetic resonance experiments in bulk tetragonal NaMnAs -- a room-temperature antiferromagnetic semiconductor. Our results corroborate previous ab initio studies, which propose that NaMnAs is an easy-axis…
In this work, we study the hexagonal variant of the $\text{Ce}_2\text{PdGe}_3$ system that crystallizes in the $\text{AlB}_2$-type structure (space group $P6/mmm$, $hP3$) and exhibits cluster spin glass type behavior. The physical…
Two-dimensional MXenes are promising solid lubricants, but the roles of compositional complexity and surface chemistry in governing interfacial friction remain unclear. Here, we systematically investigate the adhesion and friction behaviors…
The dynamic behavior of metals is governed by collective dislocation motion and interactions that strongly depend on the applied strain rate. Metals exhibit weak strain rate sensitivity (SRS) below a certain threshold, followed by a…