187 citations · 3.1k across the 76 of their papers we have counts for
12 papers · 1 filter
Topological phonons in oxide perovskites controlled by light
Bo Peng, Yuchen Hu, Shuichi Murakami +2
Perovskite oxides exhibit a rich variety of structural phases hosting different physical phenomena that generate multiple technological applications. We find that topological phono…
Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: a mode-resolved picture and the effect of molecular size
Timothy J. H. Hele, Bartomeu Monserrat, Antonios M. Alvertis
The energies of molecular excited states arise as solutions to the electronic Schrödinger equation and are often compared to experiment. At the same time, nuclear quantum motion is…
Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers
Dangqi Fang, Siyu Chen, Yaqi Li +1
Van der Waals heterostructures formed by stacking different types of 2D materials are attracting increasing attention due to new emergent physical properties such as interlayer exc…
Mechanism of carrier localization in doped perovskite nanocrystals for bright emission
Sascha Feldmann, Mahesh Gangishetty, Ivona Bravic +7
Nanocrystals based on metal-halide perovskites offer a promising material platform for highly efficient lighting. Using transient optical spectroscopy, we study excitation recombin…
Efficient lattice dynamics calculations for correlated materials with DFT+DMFT
Can P. Koçer, Kristjan Haule, G. Lucian Pascut +1
Phonons are fundamentally important for many materials properties, including thermal and electronic transport, superconductivity, and structural stability. Here, we describe a meth…
Phonon-assisted electronic states modulation of few-layer PdSe2 at terahertz frequencies
Ziqi Li, Bo Peng, Miao-Ling Lin +6
Information technology demands high-speed optoelectronic devices, but going beyond the one terahertz (THz) barrier is challenging due to the difficulties associated with generating…
Bright excitons with negative-mass electrons
Kai-Qiang Lin, Chin Shen Ong, Sebastian Bange +15
Bound electron-hole excitonic states are generally not expected to form with charges of negative effective mass. We identify such excitons in a single layer of the semiconductor WS…
Extracting ice phases from liquid water: why a machine-learning water model generalizes so well
Bartomeu Monserrat, Jan Gerit Brandenburg, Edgar A. Engel +1
We investigate the structural similarities between liquid water and 53 ices, including 20 knowncrystalline phases. We base such similarity comparison on the local environments that…
First principles modeling of exciton-polaritons in polydiacetylene chains
Antonios M. Alvertis, Raj Pandya, Claudio Quarti +7
Exciton-polaritons in organic materials are hybrid states that result from the strong interaction of photons and the bound excitons that these materials host. Organic polaritons ho…
The impact of exciton delocalization on exciton-vibration interactions in organic semiconductors
Antonios M. Alvertis, Raj Pandya, Loreta A. Muscarella +7
Organic semiconductors exhibit properties of individual molecules and extended crystals simultaneously. The strongly bound excitons they host are typically described in the molecul…
Boron phosphide as a \emph{p}-type transparent conductor: optical absorption and transport through electron-phonon coupling
Viet-Anh Ha, Bora Karasulu, Ryo Maezono +5
Boron phosphide has recently been identified as a potential high hole mobility transparent conducting material. This promise arises from its low hole effective masses. However, BP…
Speed of sound from fundamental physical constants
K. Trachenko, B. Monserrat, C. J. Pickard +1
Two dimensionless fundamental physical constants, the fine structure constant and the proton-to-electron mass ratio are attributed a particular importance fro…