83 citations · 112 across the 8 of their papers we have counts for
10 papers
Ultrafast magnetization induced by linearly polarized pulses is widespread in nonmagnetic semiconductors
Xiangzhou Zhu, Junfeng Qiao, Nicola Marzari +1
Ultrafast optical on-off switching of magnetic order promises near-petahertz information processing. Recently, it has been proposed that non-magnetic semiconductors with narrow ban…
Light-Induced Transient Polarization Reversal in Rhombohedrally Stacked Bilayer Transition Metal Dichalcogenides via an Electronic Mechanism
Xiangzhou Zhu, Stefano Mocatti, Matteo Calandra
Light-induced sliding ferroelectricity in two-dimensional van der Waals materials enables polarization control via relative layer motion. However, polarization switching occurs on…
Predicting the Thermal Behavior of Semiconductor Defects with Equivariant Neural Networks
Xiangzhou Zhu, Patrick Rinke, David A. Egger
The presence of defects strongly influences semiconductor behavior. However, predicting the electronic properties of defective materials at finite temperatures remains computationa…
The Effect of Overdamped Phonons on the Fundamental Band Gap of Perovskites
Xiangzhou Zhu, David A. Egger
Anharmonic atomic motions can strongly influence the optoelectronic properties of materials but how these effects are connected to the underlying phonon band structure is not under…
Anharmonic Fluctuations Govern the Band Gap of Halide Perovskites
Stefan A. Seidl, Xiangzhou Zhu, Guy Reuveni +5
We determine the impact of anharmonic thermal vibrations on the fundamental band gap of CsPbBr, a prototypical model system for the broader class of halide perovskite semicondu…
Robust excitons across the phase transition of two-dimensional hybrid perovskites
Jonas D. Ziegler, Kai-Qiang Lin, Barbara Meisinger +11
Two-dimensional halide perovskites are among intensely studied materials platforms profiting from solution based growth and chemical flexibility. They feature exceptionally strong…
Probing the Disorder inside the Cubic Unit Cell of Halide Perovskites from First-Principles
Xiangzhou Zhu, Sebastián Caicedo-Dávila, Christian Gehrmann +1
Strong deviations in the finite temperature atomic structure of halide perovskites from their average geometry can have profound impacts on optoelectronic and other device-relevant…
Transversal Halide Motion Intensifies Band-To-Band Transitions in Halide Perovskites
Christian Gehrmann, Sebastián Caicedo-Dávila, Xiangzhou Zhu +1
Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit…
Fast and anomalous exciton diffusion in two-dimensional hybrid perovskites
Jonas D. Ziegler, Jonas Zipfel, Barbara Meisinger +7
Two-dimensional hybrid perovskites are currently in the spotlight of condensed matter and nanotechnology research due to their intriguing optoelectronic and vibrational properties…
Magnetic exchange interactions in SrMnO
Xiangzhou Zhu, Alexander Edström, Claude Ederer
We calculate Heisenberg-type magnetic exchange interactions for SrMnO under isotropic volume expansion using an approach that is based on total energy variations due to infinit…