Chemical mapping of excitons in halide double perovskites

RI Biega, Y Chen, MR Filip, L Leppert - Nano letters, 2023 - ACS Publications
Halide double perovskites comprise an emerging class of semiconductors with tremendous
chemical and electronic diversity. While their band structure features can be understood …

Minimal molecular building blocks for screening in quasi-two-dimensional organic–inorganic lead halide perovskites

J McArthur, MR Filip, DY Qiu - Nano Letters, 2023 - ACS Publications
Layered hybrid organic–inorganic lead halide perovskites have intriguing optoelectronic
properties, but some of the most interesting perovskite systems, such as defective …

Excitons in metal-halide perovskites from first-principles many-body perturbation theory

L Leppert - The Journal of chemical physics, 2024 - pubs.aip.org
Metal-halide perovskites are a structurally, chemically, and electronically diverse class of
semiconductors with applications ranging from photovoltaics to radiation detectors and …

Quasiparticle and excitonic properties of monolayer within many-body perturbation theory

J Wu, B Hou, W Li, Y He, DY Qiu - Physical Review B, 2024 - APS
In the monolayer limit, 1 T′ WTe 2 is a two-dimensional topological insulator exhibiting the
quantum spin Hall effect and is believed to host an excitonic insulator ground state …

Spin-dependent interactions in orbital-density-dependent functionals: Noncollinear Koopmans spectral functionals

A Marrazzo, N Colonna - Physical Review Research, 2024 - APS
The presence of spin-orbit coupling or noncollinear magnetic spin states can have dramatic
effects on the ground-state and spectral properties of materials, in particular on the band …

Exchange-Driven Intermixing of Bulk and Topological Surface States by Chiral Excitons in

B Hou, D Wang, BA Barker, DY Qiu - Physical Review Letters, 2023 - APS
Topological surface states (TSS) in the prototypical topological insulator (TI) Bi 2 Se 3 are
frequently characterized using optical probes, but electron-hole interactions and their effect …

Effects of self-consistent extended Hubbard interactions and spin-orbit couplings on energy bands of semiconductors and topological insulators

W Yang, YW Son - Physical Review B, 2024 - APS
A first-principles computational method with self-consistent on-site and intersite Hubbard
functionals is able to treat local and nonlocal Coulomb interactions on an equal footing. To …

Halide Mixing in Cs2AgBi(IxBr1–x)6 Double Perovskites: A Pathway to Tunable Excitonic Properties

RI Biega, HJ Jöbsis, Z Gijsberg… - The Journal of …, 2024 - ACS Publications
Cs2AgBiBr6 is an emerging double perovskite semiconductor with robust stability. However,
its potential for photovoltaics is limited by its indirect band gap and localized electronic …

Surface Effects on Anisotropic Photoluminescence in One‐Dimensional Organic Metal Halide Hybrids

LM McClintock, L Yuan, Z Song, MT Pettes… - Small …, 2023 - Wiley Online Library
1D organic metal halide hybrids (OMHHs) exhibit strongly anisotropic optical properties,
highly efficient light emission, and large Stokes shift, holding promise for novel …

Anisotropic electron-hole excitation and large linear dichroism in the two-dimensional ferromagnet CrSBr with in-plane magnetization

TX Qian, J Zhou, TY Cai, S Ju - Physical Review Research, 2023 - APS
The observation of magnetic ordering in atomically thin CrI 3 and Cr 2 Ge 2 Te 6 monolayers
has aroused intense interest in condensed-matter physics and material science. Studies of …