相关论文: First principles study of ferroelastic twins in ha…
Halide perovskites have emerged as promising materials for next-generation photovoltaics, laser sources and X-ray detectors. There is intense debate as to whether some photoactive halide perovskites exhibit ferroelectric behaviour and…
Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bi-stable polarity of twin walls and its reversal have not yet been demonstrated. Here, we report that the…
Lead halide perovskites have emerged as promising materials for optoelectronic applications due to their exceptional properties. In the all-inorganic CsPbBr3 perovskites, ferroelastic domains formed during phase transitions enhance bulk…
Lead-free halide double perovskites are promising stable and non-toxic alternatives to methylammonium lead iodide in the field of photovoltaics. In this context, the most commonly used double perovskite is Cs$_2$AgBiBr$_6$, due to its…
Ferroelastic twin walls in centrosymmetric perovskites can host emergent polar and magnetic properties forbidden in the bulk. We use density functional theory calculations to study the geometry and magnetic properties of ferroelastic domain…
We explore the ferroic properties of methylammonium lead iodide perovskite solar cells by Piezoresponse Force Microscopy (PFM). In vertical and horizontal PFM imaging, we find domains of alternating polarization with a width of 90 nm which…
Interfaces between the perovskite active layer and the charge-transport layers (CTLs) play a critical role in both efficiency and stability of halide-perovskite photovoltaics. One of the major concerns is that surface defects of perovskite…
The control and steering of light at nanometre length scales is crucial for the development of both fundamental science and nanophotonic technologies. Recent advancements have been achieved by exploiting various crystalline anisotropies,…
Based on a first-principles based multiscale approach, we study the polarity (P) of ferroelastic twin walls in SrTiO$_3$. In addition to flexoelectricity, which was pointed out before, we identify two new mechanisms that crucially…
In this work, we use density functional theory calculations to demonstrate how spontaneous electric polarizations can be induced \textit{via} a hybrid improper ferroelectric mechanism in iodide perovskites, a family well-known to display…
Organolead halide perovskites have attracted substantial attention due to their excellent physical properties, which enable them to serve as the active material in emerging hybrid solid-state solar cells. Here we investigate the…
The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitised and organic photovoltaics. High power conversion efficiency can be realised in both mesoporous and thin-film device…
Inorganic perovskite oxide ferroelectrics have recently generated substantial interest for photovoltaic applications; however, existing materials suffer from excessive electronic band gaps and insufficient electric polarization. The recent…
We use photoemission electron microscopy to measure the ferroelastic twin wall angles at the surface of CaTiO$_\mathrm{3}$(001) and deduce the strain ordering. We analyze the angular dependence of the photoelectron emission from different…
Twisted heterostructures of two-dimensional crystals offer almost unlimited scope for the design of novel metamaterials. Here we demonstrate a room-temperature ferroelectric semiconductor that is assembled using mono- or few- layer MoS2.…
Double perovskites have emerged as promising alternatives to lead halide perovskites, aiming to mitigate challenges related to toxicity and chemical instability. Among them, mixed-valence gold halides such as Cs2Au+Au3+Cl6, which contain…
Domain wall dynamics in ferroic materials underpins functionality of data storage and information technology devices. Using localized electric field of a scanning probe microscopy tip, we experimentally demonstrate a surprisingly rich range…
We report two series of structures representing two types of $180^\circ$ ferroelectric domain walls in $\mathrm{HfO_2}$ and $\mathrm{ZrO_2}$. We model the domain structures with different width by density functional theory calculations. The…
Charge-neutral 180$^\circ$ domain walls that separate domains of antiparallel polarization directions are common structural topological defects in ferroelectrics. In normal ferroelectrics, charged 180$^\circ$ domain walls running…
Ferroelectrics are technologically important, with wide application in micromechanical systems, nonlinear optics, and information storage. Recent discoveries of exotic polarisation textures in these materials, which can strongly influence…