42 citations · 134 across the 9 of their papers we have counts for
9 papers
Cavity-Born Oppenheimer Approximation for Molecules and Materials via Electric Field Response
John Bonini, Iman Ahmadabadi, Johannes Flick
We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate th…
Adiabatic dynamics of coupled spins and phonons in magnetic insulators
Shang Ren, John Bonini, Massimiliano Stengel +2
In conventional \textit{ab initio} methodologies, phonons are calculated by solving equations of motion involving static interatomic force constants and atomic masses. The Born-Opp…
Chiral model of twisted bilayer graphene realized in a monolayer
Valentin Crépel, Aaron Dunbrack, Daniele Guerci +2
We demonstrate that a single layer of graphene subject to a superlattice potential nearly commensurate to a supercell exactly maps to the chiral model of…
Cyclic Ferroelectric Switching and Quantized Charge Transport in CuInPS
Daniel Seleznev, Sobhit Singh, John Bonini +2
The van der Waals layered ferroelectric CuInPS has been found to exhibit a variety of intriguing properties arising from the fact that the Cu ions are unusually mobile in t…
Frequency splitting of chiral phonons from broken time reversal symmetry in CrI
John Bonini, Shang Ren, David Vanderbilt +3
Conventional approaches for lattice dynamics based on static interatomic forces do not fully account for the effects of time-reversal-symmetry breaking in magnetic systems. Recent…
Ab initio linear-response approach to vibro-polaritons in the cavity Born-Oppenheimer approximation
John Bonini, Johannes Flick
Recent years have seen significant developments in the study of strong light-matter coupling including the control of chemical reactions by altering the vibrational normal modes of…
Controlling ferroelectric hysteresis offsets in PbTiO based superlattices
Simon Divilov, Hsiang-Chun Hsing, Mohammed Humed Yusuf +9
Ferroelectric materials are characterized by degenerate ground states with multiple polarization directions. In a ferroelectric capacitor this should manifest as equally favourable…
Berry Flux Diagonalization: Application to Electric Polarization
John Bonini, David Vanderbilt, Karin M. Rabe
The switching polarization of a ferroelectric is a characterization of the current that flows due to changes in polarization when the system is switched between two states. Computa…
First-Principles Bulk-Layer Model for Dielectric and Piezoelectric Responses in Superlattices
J. Bonini, J. W. Bennett, P. Chandra +1
In the first-principles bulk-layer model the superlattice structure and polarization are determined by first-principles computation of the bulk responses of the constituents to the…