Results of local spin-density approximation (LSDA) and LSDA+U calculations of the electronic structure and magnetic configurations of the 50% hole-doped pseudocubic perovskite La0.5Sr0.5MnO3 and double-layered LaSr2Mn2O7 are presented. We demonstrate that the on-site Coulomb correlation (U ) of Mn d electrons has a very different influence on the (i) band structures, (ii) magnetic ground states...

PbMg1/3Nb2/3O3 (PMN) powder was prepared by citrate organic solution, and barium titanate (BT) seed particles were added to encourage the perovskite phase formation. Sintering was followed using the constant heating rate mode of a dilatometer, and it was observed that the seed concentration affected the PMN shrinkage rate and crystal structure. The study of the lattice parameters of the samples...

Free-standing BiFeO3 perovskite particles with a size ranging from polycrystalline bulk down to 5 nm have been studied by high-energy resonant (Bi K edge) x-ray diffraction coupled to differential atomic pair distribution function analysis. Nanosized BiFeO3 particles are found to exhibit extra, i.e., beyond the usual thermal, structural disorder that increases progressively with diminishing the...

[1] The athermal elastic constants of the perovskite and post-perovskite polymorphs of pure end-member FeSiO3 were calculated from ab initio calculations. We predict that incorporating ten mole percent FeSiO3 together with four mole percent Al2O3 into MgSiO3 reduces the perovskite to post-perovskite phase transition pressure by 5 GPa. Small changes in the seismic properties of the post-perovski...

Most research on perovskite solar cells has focused on improving power-conversion efficiency and stability. However, if one could refurbish perovskite solar cells, their stability might not be a critical issue. From the perspective of cost effectiveness, if failed, perovskite solar cells could be collected and recycled; reuse of their gold electrodes and transparent conducting glasses could red...

Owing amongst other to its high electron mobility, fullerene C70, has been widely used as an electron transporting layer in organic solar cells. In this research, we report the use of C70 thin films as electron transport layers of planar perovskite solar cells (PSCs) using a conventional device structure. The thickness of the C70 layer has been optimized to achieve the best efficiency of 12%. I...

Materials with the much-loved perovskite structure are being used to develop and test new methods for interpreting local structural arrangements in crystals, and these methods are in turn uncovering unexpected new structural insight.

The transformation of a 2-D perovskite structure to "expanded" 2-D and finally to a 0-D hexanuclear cadmium chloride cluster by varying the size of substituents on the associated counterions (H vs. methyl vs. ethyl) is described.

In this review, we summarize recent works on perovskite solar cells with neutral- and multi-colored semitransparency for building-integrated photovoltaics and tandem solar cells. The perovskite solar cells exploiting microstructured arrays of perovskite "islands" and transparent electrodes-the latter of which include thin metallic films, metal nanowires, carbon nanotubes, graphenes, and transpa...

Control over morphology and crystallinity of metal halide perovskite films is of key importance to enable high-performance optoelectronics. However, this remains particularly challenging for solution-printed devices due to the complex crystallization kinetics of semiconductor materials within dynamic flow of inks. Here we report a simple yet effective meniscus-assisted solution printing (MASP) ...