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Lead-free perovskite materials have emerged as key players in optoelectronics, showcasing exceptional optical and electronic properties, alongside being environmentally friendly and non-toxic elements. Recently, among studied perovskite…

Materials Science · Physics 2024-11-14 Surajit Adhikari , Ayan Chakravorty , Priya Johari

A$_{2}$BX$_{6}$ vacancy-ordered double perovskites (VODPs) have captured substantial research interest in the scientific community as they offer environmentally friendly and stable alternatives to lead halide perovskites. In this study, we…

Materials Science · Physics 2024-11-11 Surajit Adhikari , Priya Johari

In the search for stable lead (Pb) free perovskites, Vacancy ordered double perovskite (VODP), A$_2$BX$_6$ has emerged as a promising class of materials for solar harvesting owing to their nontoxicity, better stability, and unique…

Materials Science · Physics 2023-09-13 Supriti Ghorui , Jiban Kangsabanik , M. Aslam , Aftab Alam

Vacancy-ordered double perovskites (VODPs) are promising alternatives to three-dimensional lead halide perovskites for optoelectronic and photovoltaic applications. Mixing these materials creates a vast compositional space, allowing for…

Materials Science · Physics 2025-01-27 Fan Zhang , Li Fu , Weiwei Gao , Peihong Zhang , Jijun Zhao

The vacancy-ordered double perovskites (VODP) are emerging materials for the renewable energy because of their extraordinary stability. In the present work, we have addressed the structural, electronic and optical properties of the…

Computational Physics · Physics 2023-02-27 M. Talebi , A. Mokhtari

Using first-principles GW plus Bethe-Salpeter equation calculations, we identify anomalously strong excitonic effects in several vacancy-ordered double perovskites Cs2MX6 (M = Ti, Zr; X = I, Br). Giant exciton binding energies about 1 eV…

Computational Physics · Physics 2023-06-21 Fan Zhang , Weiwei Gao , Greis J. Cruz , Yi-yang Sun , Peihong Zhang , Jijun Zhao

Halide double perovskites with alternating silver and pnictogen cations are an emerging family of photoabsorber materials with robust stability and band gaps in the visible range. However, the nature of optical excitations in these systems…

Materials Science · Physics 2021-02-12 Raisa-Ioana Biega , Marina R. Filip , Linn Leppert , Jeffrey B. Neaton

Halide double perovskites are an emerging class of semiconductors with tremendous chemical and electronic diversity. While their bandstructure features can be understood from frontier-orbital models, chemical intuition for optical…

Materials Science · Physics 2023-09-04 Raisa-Ioana Biega , Yinan Chen , Marina R. Filip , Linn Leppert

Vacancy ordered halide perovskites have been extensively investigated as promising lead-free alternatives to halide perovskites for various opto-electronic applications. Among these Cs$_{2}$TiBr$_{6}$ has been reported as a stable absorber…

Materials Science · Physics 2023-06-28 B. Cucco , G. Bouder , L. Pedesseau , C. Katan , J. Even , M. Kepenekian , G. Volonakis

We theoretically investigate the spin structure and spin dynamics of excitons in bulk lead halide perovskite semiconductors with cubic, tetragonal, and orthorhombic crystal symmetry. The exciton spin structure and its modification by an…

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

A comprehensive study of excitonic properties of 2D layered perovskites is provided, with an emphasis on understanding and controlling the exciton fine structure. First, an overview of the optical properties is presented, discussing the…

Presence of excitons significantly influence the optoelectronic properties and potential applications of materials. Using combined theoretical and experimental tools, we investigate the absorption spectra of $d^0$ double perovskite oxides…

Layered halide perovskites are solution-processed natural heterostructures where quantum and dielectric confinement effects down to the nanoscale strongly influence the optical properties, leading to stabilization of bound excitons.…

Materials Science · Physics 2022-12-09 Claudio Quarti , Giacomo Giorgi , Claudine Katan , Jacky Even , Maurizia Palummo

The layered structure of 2D metal halide perovskites (MHPs) consisting of an ionic metal halide octahedral layer electronically separated by an organic cation, exhibits strong coupling between high-binding-energy excitons and low-energy…

Low-dimensional organic-inorganic perovskites synergize the virtues of two unique classes of materials featuring intriguing possibilities for next-generation optoelectronics: they offer tailorable building blocks for atomically thin,…

Light-matter coupling in excitonic materials has been the subject of intense investigation due to emergence of new excitonic materials. Two-dimensional layered hybrid organic/inorganic perovskites (2D HOIPs) support strongly bound excitons…

Like single perovskites, halide double perovskites (HDP) have truly emerged as efficient optoelectronic materials since they display superior stability and are free of toxicity. However, challenges still exist due to either wide and…

Materials Science · Physics 2023-09-13 Mayank Gupta , Susmita Jana , B. R. K. Nanda

The halide perovskites have truly emerged as efficient optoelectronic materials and show the promise of exhibiting nontrivial topological phases. Since the bandgap is the deterministic factor for these quantum phases, here we present a…

Materials Science · Physics 2021-03-31 Ravi Kashikar , Mayank Gupta , B. R. K. Nanda

Vacancy-ordered double perovskites (A$_2$BX$_6$), being one of the environmentally friendly and stable alternatives to lead halide perovskites, have garnered considerable research attention in the scientific community. However, their…

Materials Science · Physics 2023-05-02 Preeti Bhumla , Manjari Jain , Sajjan Sheoran , Saswata Bhattacharya
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