材料科学
We report Beta-AlGaO/Ga2O3 tri-gate heterostructure MOSHEMTs incorporating a thin 5 nm Al2O3 gate oxide layer for improved gate control and reduced leakage. The devices were fabricated on AlGaO/GaO heterostructures grown by ozone MBE on…
Indium selenide (In2Se3), a layered chalcogenide with multiple polymorphs, is a promising material for optoelectronic and ferroelectric applications. However, achieving polymorph-pure thin films remains a major challenge due to the complex…
The crystal structure of Rb$_2$Ru$_2$O$_7$.H$_2$O was determined by three-dimensional electron diffraction from the individual crystallites of a solid-state powder product. Rb$_2$Ru$_2$O$_7$.H$_2$O crystallizes in space group…
Accurately predicting the Curie temperature ($T_c$) of ferroelectrics from first principles remains a major challenge, as theoretical estimates often fall significantly below experimental values. In this work, we investigate the origin of…
Atomic substitution provides a controlled route to engineer lattice dynamics in low-symmetry two-dimensional materials. Here, by combining polarization-resolved Raman spectroscopy and first-principles calculations, we investigate the…
Uranium tellurides span magnetic and superconducting ground states, yet systematic electronic-structure information across the U-Te series remains scarce. In this study, we perform photoemission measurements on freshly prepared UxTey thin…
Halide double perovskites are an interesting alternative to Pb-containing counterparts as active materials in optoelectronic devices. Low-dimensional double perovskites are fabricated by introducing large organic cations, resulting in…
The development of visual luminescent thermometers capable of exhibiting pronounced color changes in response to temperature variations requires the rational design of phosphors with high spectrally selective thermal sensitivity. In this…
Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…
Water's phase diagram remains one of the most intricate and challenging benchmarks in molecular modeling. In this study, we compute the phase diagram of water using an Atomic Cluster Expansion (ACE) potential trained on density-functional…
Halide perovskites have emerged as promising materials for next-generation photovoltaics, laser sources and X-ray detectors. There is intense debate as to whether some photoactive halide perovskites exhibit ferroelectric behaviour and…
Current-induced spin-orbit torque (SOT) plays a crucial role in the next-generation spin-orbitronics. Enhancing its efficiency is both fundamentally and practically interesting and remains a challenge to date. Recently, orbital counterparts…
We present a microscopic theory of the inverse chiral phonon Zeeman effect in noncentrosymmetric crystals. Within micropolar elasticity, coupled translational displacements and microrotations give rise to intrinsically chiral phonons, which…
Quaternary Heusler alloys offer a versatile platform for engineering magnetic and topological transport phenomena through chemical flexibility and tunable disorder. Here, we report a comprehensive experimental and theoretical investigation…
Porous nanocarbon materials are seen as potential excellent materials for hydrogen storage due to their high surface area, excellent cycling stability and favorable kinetics. This study employs Density Functional Theory (DFT) simulations to…
We study the thermal conductivity of amorphous solids by constructing a continuum model whose degrees of freedom are propagating vibrational modes (phonons) and extended Volterra dislocation line defects with their own vibrational degrees…
The use of polymer nanocomposites as gas barrier materials has seen increasing interest, including applications involving hydrogen transport and storage. Better understanding of gas transport through those polymeric systems requires 3D…
Molecular spins are a versatile platform for quantum sensing. Not only are the spin-bearing molecules themselves widely tunable, they are also capable of being used as sensors as crystals, films and in solution. Using thin-films offers the…
Indium selenide (In$_2$Se$_3$) has garnered significant attention for its intriguing properties and applications in batteries, solar cells, photodetectors and ferroelectric devices. However, the controlled synthesis of single phase…
Electron backscatter diffraction is one of the most prevalent techniques used for microstructural characterization. In recent years, there has been an increase in the use of data-driven methods to analyze raw Kikuchi patterns. However, most…