Related papers: Static and Dynamic Disorder in Formamidinium Lead …
We employ extensive NPT molecular dynamics simulations to explore the thermal transitions of two-dimensional colloidal crystals interacting via a core-softened potential with competing length scales. The system stabilizes three distinct…
Understanding the high-temperature properties of materials with (anti-)fluorite structures is crucial for their application in nuclear reactors. In this study, we employ machine learning molecular dynamics (MLMD) simulations to investigate…
Lead-free halide double perovskites provide a promising solution for the long-standing issues of lead-containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high-intensity illumination.…
We present a general formulation for stability analyses of radiative shocks with multiple cooling processes, longitudinal and transverse perturbations, and unequal electron and ion temperatures. Using the accretion shocks of magnetic…
The barium sodium niobate (BNN) with tungsten-bronze structure is one of well-known optical crystals for electro-optic and nonlinear optic applications. This paper reviews the ferroelectric instability of BNN crystals. BNN is a uniaxial…
The bandgap tunability of mixed-halide perovskites makes them promising candidates for light emitting diodes and tandem solar cells. However, illuminating mixed-halide perovskites results in the formation of segregated phases enriched in a…
Based on ab-initio molecular dynamics simulations, we investigate the low temperature crystal structure of Li2NH which in spite of its great interest as H-storage material is still matter of debate. The dynamical simulations reveal a…
Ferroelectric domain structure evolution induced by an external electric field was investigated by means of nematic liquid crystal (NLC) method in two strontium-barium niobate single crystals of nominal composition:…
London penetration depth, $\lambda(T)$, was measured in single crystals of SrFe$_2$(As$_{1-x}$P$_x$)$_2$ ($x=$0.35) iron - based superconductor. The influence of disorder on the transition temperature, $T_c$, and on $\lambda(T)$ was…
The local atomic structure and lattice dynamics of two isostructural layered transition metal dichalcogenides (TMDs), 1T-TiSe$_2$ and 1T-VSe$_2$, were studied using temperature-dependent X-ray absorption spectroscopy at the Ti, V, and Se…
Micropolar active matter requires for its kinematic description both positional and orientational degrees of freedom. Activity generates dynamic coupling between these kinematic variables that are absent in micropolar passive matter, such…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
Trapped low magnetic flux dynamics including local ones are investigated in YBCO single crystals in the strong thermal fluctuations domain near the superconducting phase transition temperatures. The essential difference from…
Organic-inorganic semiconductors, which adopt the perovskite crystal structure, have perturbed the landscape of contemporary photovoltaics research. In this Account, we discuss the internal motion of methylammonium lead iodide…
Single crystals of non-centrosymmetric $s$-wave superconductor LaPt$_{0.88}$Si$_{1.12}$ have been grown by the Czochralski (Cz) technique, whose crystal structure is described by the space group $I4{_1}md$ at ambient conditions. The…
Halide perovskites are promising semiconductors for inexpensive, high-performance optoelectronics. Despite a remarkable defect tolerance compared to conventional semiconductors, perovskite thin films still show substantial microscale…
Organic-inorganic layered perovskites are two-dimensional quantum wells with layers of lead-halide octahedra stacked between organic ligand barriers. The combination of their dielectric confinement and ionic sublattice results in excitonic…
Transition metal dichalcogenides with superperiodic lattice distortions have been widely investigated as the platform of ultrafast structural phase manipulations. Here we performed ultrafast electron diffraction on room-temperature…
Motivated by recent reports (Phys. Rev. B\textbf{80}, 241102) of room-temperature ferromagnetism in vanadium-oxide based superlattices, a single-site dynamical mean field study of the dependence of the paramagnetic-ferromagnetic phase…
The optical properties of the superconducting K$_{0.8}$Fe$_{1.7}$(Se$_{0.73}$S$_{0.27}$)$_2$ single crystals with a critical temperature $T_c\approx 26$ K have been measured in the {\it ab} plane in a wide frequency range using both…