70 citations · 213 across the 19 of their papers we have counts for
19 papers
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
Rohit Rana, Eric R. Heller, Antonios M. Alvertis +2
We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional per…
Many-Body Correlation Effects in Fröhlich Electron-Phonon Coupling
Zien Zhu, Chih-En Hsu, Benran Zhang +5
In compound semiconductors and insulators, the polar electron-phonon coupling diverges at long range, known as the Fröhlich interaction. Modern first-principles electron-phonon cal…
Hybrid continuous-discrete-variable quantum computing: a guide to utility
A. F. Kemper, Antonios Alvertis, Muhammad Asaduzzaman +24
Quantum computing has traditionally centered around the discrete variable paradigm. A new direction is the inclusion of continuous variable modes and the consideration of a hybrid…
Tunable electronic energy level alignment and exciton diversity in organic-inorganic van der Waals heterostructures
Aurélie Champagne, Olugbenga Adeniran, Jonah B. Haber +3
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most…
Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO
Stephen E. Gant, Antonios M. Alvertis, Christopher J. N. Coveney +3
Monoclinic bismuth vanadate (m-BiVO) is a promising indirect band gap semiconductor for photoelectrochemical water splitting, yet the characteristics of its low-lying photoexci…
Theory of ab initio downfolding with arbitrary range electron-phonon coupling
Norm M. Tubman, Christopher J. N. Coveney, Chih-En Hsu +6
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, t…
Phonon-mediated electron attraction in SrTiO via the generalized Fröhlich and deformation potential mechanisms
Christopher J. N. Coveney, Norm M. Tubman, Chih-En Hsu +6
Superconductivity in doped SrTiO was discovered in 1964, the first superconducting transition observed in a doped semiconductor. However, the mechanism of electron pairing in S…
Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers
Antonios M. Alvertis, Abid Khan, Norm M. Tubman
The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as…
Phonon screening of excitons in atomically thin semiconductors
Woncheol Lee, Antonios M. Alvertis, Zhenglu Li +4
Atomically thin semiconductors, encompassing both 2D materials and quantum wells, exhibit a pronounced enhancement of excitonic effects due to geometric confinement. Consequently,…
Classical Benchmarks for Variational Quantum Eigensolver Simulations of the Hubbard Model
Antonios M. Alvertis, Abid Khan, Thomas Iadecola +2
Simulating the Hubbard model is of great interest to a wide range of applications within condensed matter physics, however its solution on classical computers remains challenging i…
Rearrangement collision theory of phonon-driven exciton dissociation
Christopher J. N. Coveney, Jonah B. Haber, Antonios M. Alvertis +2
Understanding the processes governing the dissociation of excitons to free charge carriers in semiconductors and insulators is of central importance for photovoltaic applications.…
Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
Antonios M. Alvertis, David B. Williams-Young, Fabien Bruneval +1
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isol…
Phonon screening and dissociation of excitons at finite temperatures from first principles
Antonios M. Alvertis, Jonah B. Haber, Zhenglu Li +4
The properties of excitons, or correlated electron-hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of exciton physics is th…
Phonon-induced localization of excitons in molecular crystals from first principles
Antonios M. Alvertis, Jonah B. Haber, Edgar A. Engel +2
The spatial extent of excitons in molecular systems underpins their photophysics and utility for optoelectronic applications. Phonons are reported to lead to both exciton localizat…
Dielectric control of reverse intersystem crossing in thermally-activated delayed fluorescence emitters
Alexander J. Gillett, Anton Pershin, Raj Pandya +12
Thermally-activated delayed fluorescence (TADF) enables organic semiconductors with charge transfer (CT)-type excitons to convert dark triplet states into bright singlets via a rev…
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…
How Does the Symmetry of S1 Influence Exciton Transport in Conjugated Polymers?
Raj Pandya, Antonios M. Alvertis, Qifei Gu +7
Many optoelectronic devices based on organic materials require rapid and long-range singlet exciton transport. Key factors that control the transport of singlet excitons includes t…
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…