相关论文: Dynamical tilting in halide perovskites
Lead-free halide double perovskites provide a promising solution for the long-standing issues of lead-containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high-intensity illumination.…
Novel halide perovskites with improved stability and optoelectronic properties can be designed via composition engineering at cation and/or anion sites. Data-driven methods, especially high-throughput first principles computations and…
Lead halide perovskites have been extensively studied as a class of materials with unique optoelectronic properties. A fundamental aspect that governs optical and electronic behaviors within these materials is the intricate coupling between…
Perovskites have been applied in a wide range of fields such as solar cells and non-volatile memories due to their multiferroic nature and excellent photo-electric conversion capabilities. Recently, two-dimensional (2D) perovskites with a…
Thickness driven electronic phase transitions are broadly observed in different types of functional perovskite heterostructures. However, uncertainty remains whether these effects are solely due to spatial confinement, broken symmetry or…
The crystalline solids with lack of orientational ordering of anisotropic particles serve the purpose of studying the disordered systems with many fundamental applications in contemporary research. Despite the orientational disorder,…
Halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them several crystallize in low symmetry lattice structures like trigonal, hexagonal, orthorhombic…
Halide perovskites are perceived to be the promising class of materials for optoelectronics, spinorbitronics and topological electronics due to presence of strong spin-orbit coupling and polarized field. Here, we develop a Hamiltonian using…
Perovskite oxides are already widely used in industry and have huge potential for novel device applications thanks to the rich physical behaviour displayed in these materials. The key to the functional electronic properties exhibited by…
We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family of materials. We explain the role of octahedral rotations in…
Persistent spin textures are highly desirable for applications in spintronics as they may allow for long carrier spin lifetimes. However, they are also rare as only four point groups can host such textures, and even for these four groups,…
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…
Physical properties intermediate between constituents of alloys can be achieved as downward convex positive bowing, upward concave negative bowing, or zero bowing. Such bowing effects are essential for band gap engineering in semiconductor…
We present a systematic first-principles study of the structural and vibrational properties of perovskite-structure EuTiO3. Our calculated phonon spectrum of the high-symmetry cubic structural prototype shows strong M- and R-point…
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…
The strategic design of ferroelectric materials exhibiting robust and reversible spontaneous polarization remains a pivotal challenge in functional materials research. Here, A-site cation disorder engineering is employed in the n = 2…
Compositional engineering of the optical properties of hybrid organic-inorganic lead halide perovskites is one of the cornerstones for the realization of efficient solar cells and tailored light-emitting devices. We study the effect of…
Halide perovskites have emerged as revolutionary materials for high performance photovoltaics and optoelectronics due to their superior optoelectronic properties. The physical origin for the superior optoelectronic properties of halide…
We report the observation of a persistent spin texture (PST) in pseudo-2D hybrid perovskite, characterized by significant spin splitting strength on the order of \(3 \, \text{eV} \cdot \text{\AA}\). Using first-principles density functional…
The centrosymmetric halide perovskites undergo a continuous phase transition from a normal insulator to a topological insulator at the critical value of strain. Contrarily, in noncentrosymmetric halide perovskites, this phase transition is…