Related papers: Electrostatic stability of insulating surfaces: Th…
We consider a column of a rotating stationary surface in Euclidean space. We obtain a value $l_0>0$ in such way that if the length $l$ of column satisfies $l>l_0$, then the surface is instable. This extends, in some sense, previous results…
The k-space polarization structure and its strain response in SrTiO3 with rotational instability are studied using a combination of first-principles density functional calculations, modern theory of polarization, and analytic…
In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds…
We present a spatial and wave-vector resolved study of the electronic structure of micron sized ferroelectric domains at the surface of a BaTiO3(001) single crystal. The n-type doping of the BaTiO3 is controlled by in-situ vacuum and oxygen…
Three-dimensional topological insulators represent a new quantum phase of matter with spin-polarized surface states that are protected from backscattering. The static electronic properties of these surface states have been comprehensively…
The description of a conducting medium in thermal equilibrium, such as an electrolyte solution or a plasma, involves nonlinear electrostatics, a subject rarely discussed in the standard electricity and magnetism textbooks. We consider in…
Electrostatic theory preserves charges, but allows dipolar excitations. Elasticity theory preserves dipoles, but allows quadrupolar (Eshelby like) plastic events. Charged amorphous granular systems are interesting in their own right; here…
The predictions of the polar catastrophe scenario to explain the occurrence of a metallic interface in heterostructures of the solid solution(LaAlO$_3$)$_{x}$(SrTiO$_3$)$_{1-x}$ (LASTO:x) grown on (001) SrTiO$_3$ were investigated as a…
We present a systematic approach to modeling the electrical and structural properties of charge-mismatched superlattices from first principles. Our strategy is based on bulk calculations of the parent compounds, which we perform as a…
We study the ferroelectric stability and surface structural properties of an oxygen-terminated hexagonal YMnO$_3$ ultra-thin film using density functional theory. Under an open circuit boundary condition, the ferroelectric state with the…
We have used density functional theory to study the structural stability of surface alloys. Our systems consist of a single pseudomorphic layer of $M_xN_{1-x}$ on the Ru(0001) surface, where $M$ = Fe or Co, and $N$ = Pt, Au, Ag, Cd, or Pb.…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
Silver iodide is one of the most potent inorganic ice nucleating particles known, a feature generally attributed to the excellent lattice match between its basal Ag-(0001) and I-(000-1) surfaces, and ice. This crystal termination, however,…
First-principles density functional calculations are performed to investigate the interplay between inplane strains and interface effects in 1by1 PbTiO3/SrTiO3 and BaTiO3/SrTiO3 superlattices of tetragonal symmetry. One particular emphasis…
Topological insulators are a class of solids in which the nontrivial inverted bulk band structure gives rise to metallic surface states that are robust against impurity scattering. In three-dimensional (3D) topological insulators, however,…
We prove stability for a class of heterogeneous catalysis models in the $L_p$-setting. We consider a setting in a finite three-dimensional pore of cylinder-like geometry, with the lateral walls acting as a catalytic surface. Under a…
In this paper we derive an expression for the static electric polarizability of a particle bound by a finite potential well without the explicit use of the continuum states in our calculations. This will be accomplished by employing the…
This paper is a first step toward understanding the effect of toroidal geometry on the rigorous stability theory of plasmas. We consider a collisionless plasma inside a torus, modeled by the relativistic Vlasov-Maxwell system. The surface…
We demonstrate that the presence of a localized state at the corner of an insulating domain is not always a predictor of a certain non-trivial higher-order topological invariant, even though they appear to co-exist in the same Hamiltonian…
The LaAlO3/SrTiO3 (LAO/STO) interface hosts a rich range of electronic phenomena, including unconventional electron pairing that in quantum dots gives rise to a negative effective charging energy U. Here, we show freestanding LAO/STO…