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Nanostructured semiconductors emit light from electronic states known as excitons[1]. According to Hund's rules[2], the lowest energy exciton in organic materials should be a poorly emitting triplet state. Analogously, the lowest exciton…

Controlling the spin degree of freedom of light at the microscale is crucial for advancing photonic information processing. Spin polarized light propagation, combined with strong optical nonlinearities, unlocks new functionalities in…

Other Condensed Matter · Physics 2025-10-20 Mateusz Kędziora , Andrzej Opala , Maciej Zaremba , Helgi Sigurðsson , Barbara Piętka

Cesium based halide perovskites, such as CsPbI3 and CsSnI3, have emerged as exceptional candidates for next generation photovoltaic and optoelectronic technologies, but their practical application is limited by temperature dependent phase…

Materials Science · Physics 2025-10-30 Atefe Ebrahimi , Franco Pellegrini , Stefano De Gironcoli

Cesium lead bromide (CsPbBr$_3$) is a representative material of the emerging class of lead halide perovskite semiconductors that possess remarkable optoelectronic properties. Its optical properties in the vicinity of the band gap energy…

Chalcogenide perovskites have received considerable interest in photovoltaic research community owing to their stability (thermal and aqueous), non-toxicity and lead free composition. However, to date a theoretical study mainly focusing on…

Materials Science · Physics 2022-07-13 Pooja Basera , Saswata Bhattacharya

Cooperative emission of photons from an ensemble of quantum dots (QDs) as superradiance can arise from the electronically coupled QDs with a coherent emitting excited state. This contrasts with superfluorescence (Dicke superradiance), where…

The spin-split indirect bandgap in hybrid-halide perovskites provides a momentum-space realisation of a photon-ratchet intermediate band. Excited electrons thermalise to recombination-protected Rashba pockets offset in momentum space,…

Materials Science · Physics 2016-11-30 Jarvist M. Frost , Pooya Azarhoosh , Scott McKechnie , Mark van Schilfgaarde , Aron Walsh

All-inorganic halide perovskites have attracted a great interest as a promising light harvester of perovskite solar cells due to their enhanced chemical stability. In this work we investigate the material properties of solid solutions…

Materials Science · Physics 2020-04-22 Chol-Jun Yu , Un-Hyok Ko , Suk-Gyong Hwang , Yun-Sim Kim , Un-Gi Jong , Yun-Hyok Kye , Chol-Hyok Ri

We performed ab initio simulations aimed at identifying the atomistic and electronic structure origin of the high valence and conduction band, and band gap tunability of halide perovskites. We found that the two key ingredients are the…

We determine the impact of anharmonic thermal vibrations on the fundamental band gap of CsPbBr$_3$, a prototypical model system for the broader class of halide perovskite semiconductors. Through first-principles molecular dynamics and…

Vacancy-ordered double perovskites have emerged as lead-free alternatives, offering remarkable stability and compositional tunability for optoelectronic applications. In this study, we provide first-principles insights into their electronic…

Materials Science · Physics 2026-04-01 Ibrahim Buba Garba , George Volonakis

Lead-halide perovskites are a promising material platform as semiconductors in next-generation solar cells because of their solution processability, defect tolerance, and tunable optoelectronic properties. While iodide-bromide perovskite…

The observation of low energy edge photoluminescence and its beneficial effect on the solar cell efficiency of Ruddlesden-Popper perovskites has unleashed an intensive research effort to reveal its origin. This effort, however, has been met…

Metal halide perovskites represent a flourishing area of research, driven by both their potential application in photo-voltaics and optoelectronics, and for the fundamental science underpinning their unique optoelectronic properties. The…

Materials Science · Physics 2020-10-29 Javad Shamsi , Alexander S. Urban , Muhammad Imran , Luca De Trizio , Liberato Manna

The toxicity and stability issues of lead-based perovskites motivate the search for non-toxic, durable alternatives. This work examines lead-free $\mathrm{Mg_3ZBr_3}$ ($Z=\mathrm{As,Sb,Bi}$) halide perovskites as optoelectronic materials,…

Materials Science · Physics 2026-02-03 Md Mohiuddin , Mohammed Mehedi Hasan , Alamgir Kabir

Recently, layered hybrid perovskites have been attracting huge interest due to a wide range of possible chemical compositions and the resulting tunability of the materials properties. In this study, we investigate the effect of the chain…

Paper offers a low-cost and widely available substrate for electronics. It posses alternative characteristics to silicon, as it shows low density and high-flexibility, together with biodegradability. Solution processable materials, such as…

Applied Physics · Physics 2022-05-24 Alvaro J. Magdaleno , Riccardo Frisenda , Ferry Prins , Andres Castellanos-Gomez

Wide bandgap semiconductors (WBGs) are predicted to be the potential materials for energy generation and storing. In this work, we used density functional theory (DFT) that incorporates generalized gradient approximation (GGA) and…

Stability and toxicity issues with the hybrid lead iodide perovskite MAPbI$_3$ necessitate a hunt for potential alternatives. Here, we shed light on promising photovoltaic properties of gold mixed-valence halide perovskites…

Materials Science · Physics 2020-01-07 Jiban Kangsabanik , Supriti Ghorui , M. Aslam , Aftab Alam

Due to their excellent optical and electrical properties as well as versatile growth and fabrication processes, lead halide perovskites have been widely considered as promising candidates for green energy and opto-electronic related…

Materials Science · Physics 2023-02-16 Xinxin Li , Wanyi Nie , Xuedan Ma