Related papers: Halide Perovskites as Spin-1 Dirac Materials
We characterized the formation of vacancies at a surface slab model and contrasted the results with the bulk of lead-halide perovskites using cubic and tetragonal CsPbI$_3$ as representative structures. The defect-free CsI-terminated (100)…
Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovskites' efficiency, electronic properties and their long-term…
Hybrid perovskites (CH3NH3PbI3) is one of the most promising novel materials for solar harvesting. Toxicity of lead (Pb), however, has always remained a concern. We investigated the electronic structure of complete replacement of Pb by…
Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT)…
We propose a simple rule for finding Dirac cone electronic states in solids, that is neglecting those lattice atoms inert to the particular electronic bands, and pursuing the two dimensional (2D) graphene-like quasi-atom lattices with s-…
Electron systems that possess light-like dispersion relations or the conical Dirac spectrum, such as graphene and bismuth, have recently been shown to harbor unusual collective states in high magnetic fields. Such states are possible…
Development of advanced optical data storage, information encryption, and security labeling technologies requires low-cost materials exhibiting local, pronounced, and diverse modification of their structure-dependent optical properties…
Metal halide perovskites, a class of cost-effective semiconductor materials, are of great interest for modern and upcoming display technologies that prioritize the light-emitting diodes (LEDs) with high efficiency and excellent color…
Electrons hopping on the sites of a two-dimensional Lieb lattice and three-dimensional edge centered cubic (perovskite) lattice are shown to form topologically non-trivial insulating phases when spin-orbit coupling is introduced. These…
Using density functional theory, the structural and electronic-structure properties of a recently discovered, zero-dimensional antimony halide perovskite are studied. It is found that the herein considered material EtPySbBr$_\mathrm{6}$…
Metal-halide perovskites are rapidly emerging as solution-processable optical materials for light emitting applications. Here we adopt a plasmonic metamaterial approach to enhance photoluminescence emission and extraction of methylammonium…
Hybrid lead halide perovskites, such as CH$_3$NH$_3$PbX$_3$ (X=I, Br), are direct gap semiconductors that offer many superior optoelectronic properties combined with extremely simple solution-processing fabrication methods. This makes them…
Metal halide perovskites make up a promising class of materials for semiconductor spintronics. Here we report a systematic investigation of coherent spin precession, spin dephasing and spin relaxation of electrons and holes in two hybrid…
The electronic structure evolution of deficient halide perovskites with a general formula $(A,A')_{1+x}M_{1-x}X_{3-x}$ was investigated using the density functional theory. The focus is placed on characterization of changes in the band gap,…
Solution-processed, lead halide-based perovskite solar cells have overcome important challenges over the recent years, offering low-cost and high solar power conversion efficiencies. However, they still undergo unoptimized light collection…
Two-dimensional (2D) halide perovskites feature a versatile structure, which not only enables the fine-tuning of their optoelectronic properties but also makes them appealing as model systems to investigate the fundamental properties of…
Hybrid halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them, MAPbI$_3$ where MA stands for the methylammonium cation, exhibits ideal properties for…
Ionic migration in organo-halide perovskites plays an important role in operation of perovskite based solar cells and light emitting diodes. Despite the ionic migration being a reversible process, it often leads to worsening of perovskite…
The ultrafast polarization response to incident light and ensuing exciton/carrier generation are essential to outstanding optoelectronic properties of lead halide perovskites (LHPs). A large number of mechanistic studies in the LHP field to…
Perovskite solar cells (PSCs) are attracting great attention as the most promising candidate for the next generation solar cells. This is due to their low cost and high power conversion efficiency in spite of their relatively short period…