Related papers: Light-tunable three-phase coexistence in mixed hal…
We study a model for the depinning and driven steady state phases of a solid tuned across a polymorphic phase transition between ground states of triangular and square symmetry. These include pinned states which may have dominantly…
A key challenge for the practical application of metal halide perovskites (MHPs) is the instability of the desired perovskite phase relative to the optically non-active $\delta$ phase. To determine the phase stability, we previously…
Organic-inorganic hybrid perovskites (OIHPs) have attracted extensive research interest as a promising candidate for efficient and inexpensive solar cells. Transmission electron microscopy characterizations that can benefit the fundamental…
Metal-insulator transitions (MIT) occurring in non-adiabatic conditions can evolve through high-energy intermediate states that are difficult to observe and control via static methods. By monitoring the out-of-equilibrium structural…
The growing trend towards engineering interfacial complexion (or phase) transitions has been seen in the grain boundary and solid surface systems.Meanwhile, little attention has been paid to the chemically heterogeneous solid/liquid…
This paper presents a multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and applies them in macro-scale device models. This work…
Understanding the phase behavior of mixed-cation halide perovskites is critical for optimizing their structural stability and optoelectronic performance. Here, we map the phase diagram of MA$_{1-x}$FA$_x$PbI$_3$ using a machine-learned…
The chemical stability of methylammonium lead iodide (\ce{MAPbI3}) under humid conditions remains the primary challenge facing halide perovskite solar cells. We investigate defect processes in the water-intercalated iodide perovskite…
We calculate the phase diagram for dilute mixtures of bosons and fermions at zero temperature. The linear stability conditions are derived and related to the effective boson-induced interaction between the fermions. We show that in…
We applied synchrotron single-crystal X-ray diffraction in a diamond anvil cell at 48-51 GPa and first-principles theoretical calculations to study the crystal structure of solid atomic iodine at high pressure. We report the synthesis of…
We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature of the motions informed by ab-initio molecular dynamics. We…
Hybrid organic-inorganic halide perovskites have emerged as a disruptive new class of materials, exhibiting optimum properties for a broad range of optoelectronic applications, most notably for photovoltaics. The first report of highly…
Ruddlesden-Popper hybrid halide perovskite are quasi-two-dimensional materials with a layered structure and structural dynamics that are determined by the interplay between the organic and inorganic layers. While their optical properties…
We discuss our very interesting experimental observation that the low-temperature two-phase coexistence in half-doped manganites is multi-valued (at any field) in that we can tune the coexisting antiferromagnetic-insulating(AF-I) and the…
Metal-halide perovskites are a versatile material platform for light-harvesting and light-emitting applications as their variable chemical composition allows the optoelectronic properties to be tailored to specific applications. Halide…
Structure of the morphotropic phase and the phase coexistence region has been investigated in (1-x)Bi(Mg1/2Zr1/2)O3-xPbTiO3 ceramics. The structure is cubic with space group Pm3m for the compositions with x<0.57 and tetragonal with space…
Focused ion beam (FIB) techniques have been frequently used to section metal-halide perovskites for microstructural investigations. However, the ion beams directly irradiated to the sample surface may alter the properties far different from…
Lead halide perovskites are causing a change of paradigm in photovoltaics. Among other peculiarities, these perovskites exhibit an atypical temperature dependence of the fundamental optical gap: It decreases in energy with decreasing…
Coherent bremsstrahlung of high energy electrons moving in a three-dimensional imperfect periodic lattice consisting of a complicated system of atoms is considered. On the basis of the normalized probability density function of the…
Mixing halides in metal halide perovskites (MHPs) is an effective approach to adjust MHPs bandgap for applications in tandem solar cells. However, mixed-halide (MH-) MHPs undergo light-induced-phase-segregation (LIPS) under continuous…