22 citations · 35 across the 10 of their papers we have counts for
4 papers · 1 filter
How Thermodynamically Accessible are Quaternary Mixed-Metal Chalcohalides?
Pascal Henkel, G. Krishnamurthy Grandhi, Jarno Laakso +6
Quaternary mixed-metal chalcohalides (MMCHs) are a promising mixed-anion semiconductor family, but their thermodynamic accessibility remains largely unexplored. We combine density…
Efficient dataset generation for machine learning perovskite alloys
Henrietta Homm, Jarno Laakso, Patrick Rinke
Lead-based perovskite solar cells have reached high efficiencies, but toxicity and lack of stability hinder their wide-scale adoption. These issues have been partially addressed th…
Design Rules for Optimizing Quaternary Mixed-Metal Chalcohalides
Pascal Henkel, Jingrui Li, Patrick Rinke
Quaternary mixed-metal M(II)2M(III)Ch2X3 chalcohalides are an emerging material class for photovoltaic absorbers that combines the beneficial optoelectronic properties of lead-base…
Precision benchmarks for solids: G0W0 calculations with different basis sets
Maryam Azizi, Francisco A. Delesma, Matteo Giantomassi +10
The GW approximation within many-body perturbation theory is the state of the art for computing quasiparticle energies in solids. Typically, Kohn-Sham (KS) eigenvalues and eigenfun…