73 citations · 284 across the 12 of their papers we have counts for
8 papers · 1 filter
Conduction band tuning by controlled alloying of Fe into Cs2AgBiBr6 double perovskite powders
Huygen J. Jobsis, Kostas Fykouras, Joost W. C. Reinders +7
Halide double perovskite semiconductors such as Cs2AgBiBr6 are widely investigated as a more stable, less toxic alternative to lead-halide perovskites in light conversion applicati…
Chemical Mapping of Excitons in Halide Double Perovskites
Raisa-Ioana Biega, Yinan Chen, Marina R. Filip +1
Halide double perovskites are an emerging class of semiconductors with tremendous chemical and electronic diversity. While their bandstructure features can be understood from front…
Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures: Influence on Thermal and Electronic Properties
Raisa-Ioana Biega, Menno Bokdam, Kai Herrmann +5
Ruddlesden-Popper hybrid halide perovskite are quasi-two-dimensional materials with a layered structure and structural dynamics that are determined by the interplay between the org…
Emergence of Rashba-/Dresselhaus Effects in Ruddlesden-Popper Halide Perovskites with Octahedral Rotations
Sonja Krach, Nicolás Forera-Correa, Raisa-Ioana Biega +2
Ruddelsden-Popper halide perovskites are highly versatile quasi-two-dimensional energy materials with a wide range of tunable optoelectronic properties. Here we use the all-inorgan…
Halogen Vacancy Migration at Surfaces of CsPbBr Perovskites: Insights from Density Functional Theory
Raisa-Ioana Biega, Linn Leppert
Migration of halogen vacancies is one of the primary sources of phase segregation and material degradation in lead-halide perovskites. Here we use first principles density function…
Chemically-Localized Resonant Excitons in Silver-Pnictogen Halide Double Perovskites
Raisa-Ioana Biega, Marina R. Filip, Linn Leppert +1
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.…
Towards predictive band gaps for halide perovskites: Lessons from one-shot and eigenvalue self-consistent GW
Linn Leppert, Tonatiuh Rangel, Jeffrey B. Neaton
Halide perovskites constitute a chemically-diverse class of crystals with great promise as photovoltaic absorber materials, featuring band gaps between about 1 and 3.5 eV depending…
Electric field and strain induced Rashba effect in hybrid halide perovskites
Linn Leppert, Sebastian E. Reyes-Lillo, Jeffrey B. Neaton
Using first principles density functional theory calculations, we show how Rashba-type energy band splitting in the hybrid organic-inorganic halide perovskites APbX (A=CHNH…