Related papers: Computing Equilibrium Shapes of Wurtzite Crystals:…
This chapter discusses the equilibrium crystal shape (ECS) from a physical perspective, beginning with a historical introduction to the Wulff theorem. It takes advantage of excellent prior reviews, particularly in the late 1980's, recapping…
According to the Wulff construction the shape of the equilibrium crystal is determined by the surface tension considered as a function of the interface orientation. We present some (conjectured) approximate solutions and some rigorous…
The shape of an equilibrium crystal is obtained, according to the Gibbs thermodynamic principle, by minimizing the total surface free energy associated to the crystal-medium interface. To study the solution to this problem, known as the…
The finite size and interface effects on equilibrium crystal shape (ECS) have been investigated for the case of a surface free energy density including step stiffness and inverse-square step-step interactions. Explicitly including the…
The equilibrium shape of crystals is a fundamental property of both aesthetic appeal and practical import. It is also a visible macro-manifestation of the underlying atomic-scale forces and chemical makeup, most conspicuous in…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
The rigorous microscopic theory of equilibrium crystal shapes has made enormous progress during the last decade. We review here the main results which have been obtained, both in two and higher dimensions. In particular, we describe how the…
Geometrical constructions, such as the tangent construction on the molar free energy for determining whether a particular composition of a solution, is stable, are related to similar tangent constructions on the orientation-dependent…
We examine the shape of a an isolated, dislocation-free ice crystal when it is in equilibrium with the vapor phase in an isothermal closed environment, as a function of temperature. From our analysis we draw the following conclusions: 1)…
A generalised Wulf-Kaishew theorem is given describing the equilibrium shape (ES) of an isolated 3D crystal A deposited coherently onto a lattice mismatched planar substrate. For this purpose a free polyhedral crystal is formed then…
Here, we propose a comprehensive first-principle atomistic approach to predict the Wulff-Kaischew equilibrium shape of crystals heterogeneously integrated on a dissimilar material. This method uses both reconstructed surface and interface…
We present a computational study for the equilibrium shape of gold nanoparticles. By linking extensive quantum-mechanical calculations, based on Density-Functional Theory (DFT) to Wulff construction, we predict equilibrium shapes that are…
Below the roughening temperature, the equilibrium crystal shape (ECS) is composed of both facets and a smoothly curved surface. As for the ``normal'' profile (perpendicular to the facet contour), the ECS has the exponent 3/2 which is…
A complete knowledge of absolute surface energies with any arbitrary crystal orientation is important for the improvements of semiconductor devices because it determines the equilibrium and nonequilibrium crystal shapes of thin films and…
A mean field theory is developed for the calculation of the surface free energy of the staggered BCSOS, (or six vertex) model as function of the surface orientation and of temperature. The model approximately describes surfaces of crystals…
Manganese sulfide (MnS) is a p-type magnetic semiconductor whose physicochemical properties are sensitive to nanocrystal (NC) morphology, yet the thermodynamic driving forces governing morphology across MnS polymorphs remain poorly…
Wigner crystals (WC) are electronic phases peculiar to low-density systems, particularly in the uniform electron gas. Since its introduction in the early twentieth century, this model has remained essential to many aspects of electronic…
Crystal phase semiconductor heterostructures allow for electron confinement without uncertainties caused by chemical intermixing found in material heterostructures and are candidates for next generation optoelectronics devices ranging from…
The structural and optical properties of 3 different kinds of GaAs nanowires with 100% zinc-blende structure and with an average of 30% and 70% wurtzite are presented. A variety of shorter and longer segments of zinc-blende or wurtzite…
The shape dependence for the technologically important nickel oxide (NiO) nanocrystals on (001) strontium titanate substrates is investigated under the generalized Wulff-Kaichew (GWK) theorem framework. It is found that the shape of the NiO…