Materials Science
Herein it is shown spontaneous symmetry breaking in supramolecular aggregates of D4h-symmetric zinc phthalocyanine (ZnPc). Ab initio density functional theory calculations at the M06/DGDZVP level reveal that intermolecular interactions…
Graphene auto-kirigami describes the thermodynamically self-driven tearing, sliding and folding of graphene sheets to form micrometre-scale, folded ribbons. However, this process typically requires specialised multi-axial nanoindentation…
Defect engineering in monolayer MoS$_2$ is a promising route to tune field-effect transistors (FETs), but the electronic response of defects in processed devices can be masked by contacts, substrate effects, adsorbates, and chemical…
Ultrafast demagnetization dynamics are often phenomenologically classified into type-I and type-II responses according to their temporal evolution following femtosecond laser excitation. However, finite experimental temporal resolution and…
This study systematically investigated the influence of boron incorporation in Cu-O thin films and the effect of oxygen partial pressure ($p_{\rm ox}$) on the phase evolution, chemical bonding, and electrical characteristics of the prepared…
Low frequency (0.05 - 40 Hz) dynamic elastic measurements and resonant ultrasound spectroscopy measurements (100-600 kHz) of RbSCN have been performed in the temperature region of the order-disorder improper ferroelastic phase transition at…
A compact structure model for the icosahedral phase Cd5.7Yb is presented. The model is based on a higher-dimensional description and a cut-and-projection procedure to generate the atom distribution in three-dimensional physical space. It…
Controlling material excitations offers access to novel fundamental and technological properties. The paradigm of Floquet engineering, the manipulation of the electronic structure using a coherent and time-periodic driving source, has…
We study the probability of the emergence of ultra-complex conductivity diagrams in conductors that satisfy the tight-binding approximation and have the simple or body-centered cubic lattice. The presence of ultra-complex conductivity…
BNT based solid solutions are promising parent materials for lead free dielectric capacitors, thanks to their high recoverable energy densities and breakdown strengths. However, the ambient temperature symmetry and high temperature phase…
The coupling between magnetic and electronic degrees of freedom gives rise to a variety of intriguing transport phenomena. Among them, the topological Hall effect, originating from the real-space Berry phase associated with nontrivial…
The phonon Hall effect describes the generation of a transverse heat current in response to a longitudinal thermal gradient in a magnetic field. Here, we theoretically demonstrate that, when the lattice excitations deflected by the Hall…
Understanding phonon transport in alloys is crucial for the design of high-performance electronic and thermoelectric devices. However, conventional theoretical models fail to provide a clear physical picture of phonon scattering caused by…
Two-dimensional (2D) materials exhibit excellent properties at monolayer thickness and are viable replacements for various microelectronic components as scaling gradually approaches the atomic limit. Despite significant advancements in the…
Predicting a material's properties from its structure is a central, fast-advancing problem in computational materials science. A decade of work has produced standard public benchmarks and many published machine-learning models for the task…
Using the Landau-Ginsburg-Devonshire approach we show that the linear gradient-type coupling between the electric polarization vector and antiferrodistortive long-range order parameter pseudovector, that has the form of Lifshitz invariant…
We derive an equation describing domain wall motion in antiferromagnets under the influence of normal strain. From this equation, we find that the domain wall moves towards positions where $\varepsilon_{xx}$ is high and $\varepsilon_{zz}$…
Porous electrodes couple electrical, chemical, mechanical, hydraulic, and thermal fields, yet conventional frequency-domain diagnostics interrogate only one of them: electrochemical impedance spectroscopy (EIS) the electrical response and…
Antiferroelectrics exhibit reversible antipolar-polar transformations, offering a compelling platform for multiple functionalities in modern nanoelectronics, yet deterministic control of antiferroelectric domains and switching pathways…
We combine in situ synchrotron X-ray crystal truncation rod measurements with a binary Burton-Cabrera-Frank model to quantify indium incorporation during InGaN growth by metal-organic vapor phase epitaxy (MOVPE) on GaN(0001). By…