7 papers · 1 filter
Halide diffusion in mixed-halide perovskites and heterojunctions
Viren Tyagi, Mike Pols, Geert Brocks +1
Migration of halide defects guides ion transport in metal halide perovskites and controls the kinetics of halide mixing and phase separation. We study the diffusion of halide vacan…
Lattice excitations with finite polarization and magnetization
Mike Pols, Carl P. Romao, Dominik M. Juraschek
Ferrons are a type of quasiparticle corresponding to elementary excitations of the ferroelectric order. Analogously to how magnons modulate and transport magnetization, ferrons mod…
Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
Mike Pols, Helena Boom, Geert Brocks +2
Chiral two-dimensional (2D) halide perovskites are formed by embedding chiral organic cations in a perovskite crystal structure. The chirality arises from distortions of the 2D met…
Chiral Phonons in 2D Halide Perovskites
Mike Pols, Geert Brocks, Sofía Calero +1
Phonons in chiral crystal structures can be circularly polarized, making them chiral. Chiral phonons carry angular momentum, which is observable in heat currents, and, via coupling…
Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields
Viren Tyagi, Mike Pols, Geert Brocks +1
Halide perovskite optoelectronic devices suffer from chemical degradation and current-voltage hysteresis induced by migration of highly mobile charged defects. Atomic scale molecul…
A Reparameterized Density Functional Tight-Binding Method for Engineering phase-stable CsPbX\textsubscript{3} Perovskites
Sander Raaijmakers, Mike Pols, José Manuel Vicent-Luna +1
Halide perovskites are a promising class of materials for optoelectronic applications, due to their excellent optoelectronic performance. However, they suffer several dynamical deg…