Related papers: The Amorphous-Crystal Interface in Silicon: a Tigh…
Amorphous alumina is employed ubiquitously as a high-dielectric-constant material in electronics, and its thermal-transport properties are of key relevance for heat management in electronic chips and devices. Experiments show that the…
Amorphous materials are coming within reach of realistic computer simulations, but new approaches are needed to fully understand their intricate atomic structures. Here, we show how machine-learning (ML)-based techniques can give new,…
We have performed an approximate ab initio calculation of vibrational properties of hydrogenated amorphous silicon (a-Si:H) using a molecular dynamics method. A 216 atom model for pure amorphous silicon (a-Si) has been employed as a…
We study interfacial behavior of a lamellar (stripe) phase coexisting with a disordered phase. Systematic analytical expansions are obtained for the interfacial profile in the vicinity of a tricritical point. They are characterized by a…
We explore a scenario where local interactions form one-dimensional gapped interfaces between a pair of distinct chiral two-dimensional topological states - referred to as phases 1 and 2 - such that each gapped region terminates at a domain…
We investigate the behavior of amorphous silicon under hydrostatic compression using molecular simulations. During compression, amorphous silicon undergoes a discontinuous nonequilibrium transition from a low-density to a high-density…
The influence of the external pressure and surface energy on the wetting transition at nanotextured interfaces is studied using molecular dynamics and continuum simulations. The surface roughness of the composite interface is introduced via…
The thermal resistance associated with the interface between a solid and a liquid is analyzed from an atomistic point of view. Partial evaluation of the associated Green-Kubo integral elucidates the various factors governing heat transport…
In order to optimize the optoelectronic properties of novel solar cell architectures, such as the amorphous-crystalline interface in silicon heterojunction devices, we calculate and analyze the local microscopic structure at this interface…
Interfaces govern the unique mechanical response of amorphous multilayers. Here, we examine nanoindentation hardness and deformation behaviour of amorphous-amorphous Ta$_2$O$_5$/SiO$_2$ nanolaminates with bilayer thicknesses ranging from 2…
2D electron gases (2DEGs) formed at oxide interfaces provide a rich testbed for fundamental physics and device applications. While the discussion of the physical origins of this phenomenon continues, the recent discovery of oxide 2DEGs at…
Molecular dynamics simulations using a Gaussian Approximation Potential (GAP) reveal a stress triaxiality driven, two-step Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition pathway in a spherical Si nanoparticle with a 10 nm…
One-dimensional topological edge modes are usually studied considering the interface between two different semi infinite periodic crystals (PCs) with inverted band structure around the Dirac point. Here we consider the case where the two…
We have developed the tight-binding theory to study electronic and optical properties of type-II heterostructures CA/C'A' grown from the zinc-blende semiconductors CA and C'A' along the crystallographic direction [001]. The sp^3s*…
Oxide interfaces feature unique two-dimensional (2D) electronic systems with diverse electronic properties such as tunable spin-orbit interaction and superconductivity. Conductivity emerges in these interfaces when the thickness of an…
We systematically study phase transformations from one helical structure to another. Motivated in part by recent work that relates the presence of compatible interfaces with properties such as the hysteresis and reversibility of a phase…
Localized interface states in abrupt semiconductor heterojunctions are studied within a tight-binding model. The intention is to provide a microscopic foundation for the results of similar studies which were based upon the two-band model…
We use confocal microscopy to study an equilibrated crystal-liquid interface in a colloidal suspension. Capillary waves roughen the surface, but locally the intrinsic interface is sharply defined. We use local measurements of the structure…
Recent experiments on amorphous materials have established the existence of surface states similar to those of crystalline three-dimensional topological insulators (TIs). Amorphous topological insulators are also independently of interest…
We identify the possibility of realizing higher order topological (HOT) phases in noncrystalline or amorphous materials. Starting from two and three dimensional crystalline HOT insulators, accommodating topological corner states, we…