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Large bandgap insulators are considered promising for applications such as photocatalysts, dielectric resonators and interference filters. Based on synchrotron X-ray diffraction, diffuse reflectance measurement and density functional…

材料科学 · 物理学 2022-04-14 A. K. Himanshu , Sujit Kumar , Urmimala Dey , Rajyavardhan Ray

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…

材料科学 · 物理学 2021-02-12 Raisa-Ioana Biega , Marina R. Filip , Linn Leppert , Jeffrey B. Neaton

There has been growing interest in perovskite BaSnO3 due to its desirable properties for oxide electronic devices including high electron mobility at room temperature and optical transparency. As these electronic and optical properties…

We investigated the electronic structures of the two-dimensional layered perovskite Sr$_{2}$\textit{M}O$_{4}$ (\textit{M}=4\textit{d} Ru, 4\textit{d} Rh, and 5\textit{d} Ir) using optical spectroscopy and polarization-dependent O…

Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton…

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…

Three-dimensional metal halide double perovskites such as Cs$_2$AgBiBr$_6$ exhibit pronounced excitonic effects due to their anisotropic electronic structure and chemical localization effects. Their two-dimensional derivatives, formed by…

材料科学 · 物理学 2025-08-01 Pierre Lechifflart , Raisa-Ioana Biega , Linn Leppert

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…

材料科学 · 物理学 2023-09-04 Raisa-Ioana Biega , Yinan Chen , Marina R. Filip , Linn Leppert

Excitons govern the light-matter interaction in 2D gapped materials with intrinsically large binding energies. In spite of plentiful optical measurements in the visible for semiconducting transition-metal dichalcogenides, we still lack…

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…

计算物理 · 物理学 2023-06-21 Fan Zhang , Weiwei Gao , Greis J. Cruz , Yi-yang Sun , Peihong Zhang , Jijun Zhao

Two-dimensional perovskites, in which inorganic layers are stabilized by organic spacer molecules, are attracting increasing attention as a more robust analogue to the conventional three-dimensional metal-halide perovskites. However,…

Vacancy ordered halide double perovskites (VODP) have been widely explored throughout the past few years as promising lead-free alternatives for optoelectronic applications. Yet, the atomic-scale mechanisms that underlie their optical…

材料科学 · 物理学 2023-06-28 Bruno Cucco , Claudine Katan , Jacky Even , Mikael Kepenekian , George Volonakis

Atomistically detailed computational studies of nanocrystals, such as those derived from the promising lead-halide perovskites, are challenging due to the large number of atoms and lack of symmetries to exploit. Here, focusing on…

材料科学 · 物理学 2022-10-05 Giulia Biffi , Yeongsu Cho , Roman Krahne , Timothy C. Berkelbach

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…

材料科学 · 物理学 2023-06-28 B. Cucco , G. Bouder , L. Pedesseau , C. Katan , J. Even , M. Kepenekian , G. Volonakis

Two-dimensional (2D) perovskite materials have recently re-attracted intense research interest for applications in photovoltaics and optoelectronics. As a consequence of the dielectric and quantum confinement effect, they show strongly…

Two-dimensional halide perovskites are among intensely studied materials platforms profiting from solution based growth and chemical flexibility. They feature exceptionally strong interactions among electronic, optical as well as…

Ba2ScSbO6 (BSS) has been synthesized in polycrystalline form by solid state reaction. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Riedvelt analysis of the XRD pattern. The crystal…

材料科学 · 物理学 2016-06-22 Rajyavardhan Ray , A K Himanshu , Uday Kumar , Pintu Sen , J. Lahiri , S K Bandyopadhyay , T. P. Sinha

Two-dimensional halide perovskites host strongly bound excitons whose fine structure controls polarization selection rules and radiative recombination, yet several spectral features in (PEA)$_2$PbI$_4$ remain controversially assigned. Here,…

介观与纳米尺度物理 · 物理学 2026-04-22 Patrick Grenzer , Fabian Lie , Klaus H. Eckstein , Tobias Hertel , Linn Leppert

Wannier-Mott excitons in a semiconductor layered superlattice (SL) of period much smaller than the 2D exciton Bohr radius in the presence of a longitudinal external dc electric field directed parallel to the SL axis are investigated…

介观与纳米尺度物理 · 物理学 2017-01-04 B. S. Monozon , P. Schmelcher

With strongly bound and stable excitons at room temperature, single-layer, two-dimensional organic-inorganic hybrid perovskites are viable semiconductors for light-emitting quantum optoelectronics applications. In such a technological…

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