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The structure of a simple liquid may be characterised in terms of ground state clusters of small numbers of atoms of that same liquid. Here we use this sensitive structural probe to consider the effect of a liquid-vapour interface upon the…
The newly observed ($\sqrt3$$\times$$\sqrt3$) surface reconstruction in heteroepitaxial Si(111) thin films on metal substrates is widely considered as a promising platform to realize 2D Dirac and topological states, yet its formation…
The prospect of coupling a two-dimensional (2D) semiconductor heterostructure to a superconductor opens new research and technology opportunities, including fundamental problems in mesoscopic superconductivity, scalable superconducting…
The nature of the pseudogap in high transition temperature (high-Tc) superconducting cuprates has been a major issue in condensed matter physics. It is still unclear whether the high-Tc superconductivity can be universally associated with…
This article investigates the properties of a few interacting particles trapped in a few wells and how these properties change under adiabatic tuning of interaction strength and inter-well tunneling. While some system properties are…
Heterostructures increasingly attracted attention over the past several years to enable various optoelectronic and photonic applications. In this work, atomically thin interfaces of Ir/Al2O3 heterostructures compatible with…
My study is about Halide Perovskites (HaPs) and focuses the fundamental structural, chemical and dielectric properties of HaPs in reference to their PV-related properties. * I present my main research model: HaP single-crystals - their…
The ability to precisely control the electronic coupling/decoupling of adsorbates from surfaces is an essential goal. It isimportant for fundamental studies not only in surface science but alsoin several applied domains including, for…
This communication covers investigation of the structural properties of surfaces of Si epitaxial layers deposited on different Si(001) vicinal substrates. We have shown processes of generation and growth of surface defects to depend on tilt…
Polymer-based nanocomposite dielectrics are expected to become essential in future generations of high voltage electrical insulation. However, the physics behind their performance is not yet understood. Here we investigate electronic…
Thin Bi films are interesting candidates for spintronic applications due to a large spin-orbit splitting that, combined with the loss of inversion symmetry at the surface, results in a band structure that is not spin-degenerate. In recent…
We have investigated the initial growth of Fe on GaAs(110) by means of density functional theory. In contrast to the conventionally used (001)-surface the (110)-surface does not reconstruct. Therefore, a flat interface and small diffusion…
A gyroid structure is a distinct morphology that is triply periodic and consists of minimal isosurfaces containing no straight lines. We have designed and synthesized amorphous silicon (a-Si) mid-infrared gyroid photonic crystals that…
Multiple line nodes in energy-band gaps are found in semimetals preserving mirror-reflection symmetry. We classify possible configurations of multiple line nodes with crossing points (crossing line nodes) under point-group symmetry. Taking…
Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…
The use of pyramid elements is crucial to the construction of efficient hex-dominant meshes. For conforming nodal finite element methods with mixed element types, it is advantageous for nodal distributions on the faces of the pyramid to…
We demonstrate theoretically the coexistence of Dirac semimetal and topological insulator phases in InSb/$\alpha$-Sn conventional semiconductor superlattices, based on advanced first-principles calculations combined with low-energy $k\cdot…
Understanding and controlling the atomic structure of polar oxide surfaces is essential for unraveling surface reactivilty and designing advanced catalytic materials. Among these, the polar CeO2(100) surface is a prototypical and…
The pressure-induced polymorphism of binary octect compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through…
The polar interface between LaAlO$_{3}$ and SrTiO$_{3}$ has shown promise as a field effect transistor, with reduced (nanoscale) feature sizes and potentially added functionality over conventional semiconductor systems. However, the…