Related papers: Superstructure reflexions in tilted perovskites Pa…
The great variety of lead halide perovskite semiconductors represents an outstanding platform for studying crystal symmetry effects on the spin-dependent properties. Access to them is granted through optical orientation of exciton and…
The anharmonic lattice dynamics of oxide and halide perovskites play a crucial role in their mechanical and optical properties. Raman spectroscopy is one of the key methods used to study these structural dynamics. However, despite decades…
The outstanding opto-electronic properties of lead halide perovskites have been related to the formation of polarons. Nevertheless, the observation of the atomistic deformation brought about by one electron-hole pair in these materials has…
Efficiently predicting properties of porous crystalline materials has great potential to accelerate the high throughput screening process for developing new materials, as simulations carried out using first principles model are often…
The diffraction of stochastic point sets, both Bernoulli and Markov, and of random tilings with crystallographic symmetries is investigated in rigorous terms. In particular, we derive the diffraction spectrum of 1D random tilings, of…
Quasicrystals and their periodic approximants are complex phases, which have by now been observed in many metallic alloys, soft matter systems, and particle simulations. In recent experiments of thin-film perovskites on solid substrates,…
We study by means of first principle Quantum Monte Carlo simulations the ground state phase diagram of a system of dipolar bosons with aligned dipole moments, and with the inclusion of a two-body repulsive potential of varying range. The…
The second order optical response of centrosymmetric materials manifests itself mostly at their surface, being strongly suppressed in their bulk. However, the overall surface response is also suppressed in nanoparticles with a…
We theoretically investigate the ground states and the spectrum of elementary excitations across the superfluid to droplet crystallization transition of an oblate dipolar Bose-Einstein condensate. We systematically identify regimes where…
The diffraction trace formula ({\em Phys. Rev. Lett.} {\bf 73}, 2304 (1994)) and spectral determinant are tested on the open three disk scattering system. The system contains a generic and exponentially growing number of diffraction…
The behavior of dipolar Bose-Einstein condensates in planar geometries is investigated, focusing on the effects of the polarization orientation. While perpendicular polarization produces a phase diagram with hexagonal, stripes, and…
A supersolid is a counter-intuitive phase of matter where its constituent particles are arranged into a crystalline structure, yet they are free to flow without friction. This requires the particles to share a global macroscopic phase while…
We derive a refraction law for superconducting vortices at superconductor/normal metal interfaces. Simulations of the proximity effect under tilted geometries confirm this law and reveal vortex trapping for low effective mass. Under…
Using an extension of a first-principles method developed by King-Smith and Vanderbilt [Phys. Rev. B {\bf 49}, 5828 (1994)], we investigate the effects of in-plane epitaxial strain on the ground-state structure and polarization of eight…
In this paper, we propose a general mechanism for the existence of quasicrystals in spatially extended systems (partial differential equations with Euclidean symmetry). We argue that the existence of quasicrystals with higher order…
We study the interplay of structural and polar distortions in hexagonal YMnO3 and short-period PbTiO3/SrTiO3 superlattices by means of first-principles calculations at constrained electric displacement field D. We find that in YMnO3 the…
The stability of a high-symmetry $P4mm$ polar phase in seventeen short-period ferroelectric perovskite superlattices with polar discontinuity is studied from first principles within the density-functional theory. It is shown that in most…
We formulate an effective model for B-B' site ordering in double perovskite materials A_2BB'O_6. Even within the simple framework of lattice-gas type models, we are able to address several experimentally observed issues including…
The vibrational spectra of CdSe/CdS superlattices (SLs) with different layer thicknesses are calculated from first principles within the density functional theory. It is shown that, along with folded acoustic and confined optical modes, a…
At the exit surface of a photonic crystal, the intensity of the diffracted wave can be periodically modulated, showing a maximum in the "positive" (forward diffracted) or in the "negative" (diffracted) direction, depending on the slab…