88 citations · 203 across the 16 of their papers we have counts for
16 papers
Exchange-mediated exciton splitting and linear dichroism in monolayer transition metal dichalcogenide induced by ferroelectric substrates
Sudipta Kundu, Felipe H. da Jornada
Valley-polarized excitons in two-dimensional transition metal dichalcogenides (TMDs) offer a promising platform for quantum applications, yet the addressability and decoherence of…
DeepH-pack: A general-purpose neural network package for deep-learning electronic structure calculations
Yang Li, Yanzhen Wang, Boheng Zhao +15
In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and…
Tailoring phonon-driven responses in α-MoO3 through isotopic enrichment
Thiago S. Arnaud, Ryan W. Spangler, Johnathan D. Georgaras +29
The implementation of polaritonic materials into nanoscale devices requires selective tuning of parameters to realize desired spectral or thermal responses. One robust material is…
Terahertz field-induced giant symmetry modulations in a van der Waals antiferromagnet
Sheikh Rubaiat Ul Haque, Martin J. Cross, Sangeeta Rajpurohit +19
Strong-field terahertz (THz) excitations enable dynamic control over electronic, lattice and symmetry degrees of freedom in quantum materials. Here, we uncover pronounced terahertz…
Exciton-polaritons and exciton localization from a first-principles interacting Green's function formalism
Zachary N. Mauri, Christopher J. Ciccarino, Jonah B. Haber +2
Exciton-polaritons -- hybrid states of photons and excitons -- offer unique avenues for controlling electronic, optical, and chemical properties of materials. However, their modeli…
Exciton thermalization dynamics in monolayer MoS2: a first-principles Boltzmann equation study
Yang-hao Chan, Jonah B. Haber, Mit H. Naik +4
Understanding exciton thermalization is critical for optimizing optoelectronic and photocatalytic processes in many materials. However, it is hard to access the dynamics of such pr…
Targeted materials discovery using Bayesian algorithm execution
Sathya Chitturi, Akash Ramdas, Yue Wu +8
Rapid discovery and synthesis of new materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which…
Emergence of Layer Stacking Disorder in c-axis Confined MoTe
James L Hart, Lopa Bhatt, Yanbing Zhu +13
The layer stacking order in 2D materials strongly affects functional properties and holds promise for next generation electronic devices. In bulk, octahedral MoTe possesses two…
Specifics of the Elemental Excitations in "True One-Dimensional" MoI van der Waals Nanowires
Fariborz Kargar, Zahra Barani, Nicholas R. Sesing +15
We report on the temperature evolution of the polarization-dependent Raman spectrum of exfoliated MoI, a van der Waals material with a "true one-dimensional" crystal structure…
Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium Green's function
Jia Yin, Yang-hao Chan, Felipe da Jornada +3
Computing the numerical solution of the Kadanoff-Baym equations, a set of nonlinear integral differential equations satisfied by two-time Green's functions derived from many-body p…
Nature of novel moiré exciton states in WSe/WS heterobilayers
Mit H. Naik, Emma C. Regan, Zuocheng Zhang +18
Moiré patterns of transition metal dichalcogenide (TMD) heterobilayers have proven to be an ideal platform to host unusual correlated electronic phases, emerging magnetism, and cor…
Moiré-localized interlayer exciton wavefunctions captured by imaging its electron and hole constituents
Ouri Karni, Elyse Barré, Vivek Pareek +21
Interlayer excitons (ILXs) - electron-hole pairs bound across two atomically thin layered semiconductors - have emerged as attractive platforms to study exciton condensation, singl…
Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition
Jia Yin, Yang-hao Chan, Felipe da Jornada +3
Simulating the dynamics of a nonequilibrium quantum many-body system by computing the two-time Green's function associated with such a system is computationally challenging. Howeve…
Exciton Shift Currents: DC Conduction with Sub-bandgap Photo Excitations
Y. -H. Chan, Diana Y. Qiu, Felipe H. da Jornada +1
Shift current is a DC current generated from nonlinear light-matter interaction in a non-centrosymmetric crystal and is considered a promising candidate for next generation photovo…
Reproducibility in Calculations for Solids
Tonatiuh Rangel, Mauro Del Ben, Daniele Varsano +13
Ab initio many-body perturbation theory within the approximation is a Green's function formalism widely used in the calculation of quasiparticle excitation energies of solids.…
Tuning many-body interactions in graphene: The effects of doping on excitons and carrier lifetimes
Kin Fai Mak, Felipe H. da Jornada, Keliang He +6
The optical properties of graphene are strongly affected by electron-electron (e-e) and electron-hole (e-h) interactions. Here we tune these many-body interactions through varying…