activity
20202026
most citedBand gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional

114 citations · 436 across the 24 of their papers we have counts for

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Showing 2025Show all

6 papers · 1 filter

cond-mat.mtrl-sci2025

Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition

Zui Tao, Jonah B. Haber, Jeffrey B. Neaton

We introduce the Wannier function decomposition of excitons (WFDX) method to quantify exciton localization in solids within the ab initio Bethe-Salpeter equation framework. By deco…

cond-mat.mtrl-sci2025★ 3 cited

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…

cond-mat.str-el2025

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…

cond-mat.mtrl-sci2025

Exciton-defect interaction and optical properties from a first-principles T-matrix approach

Yang-hao Chan, Jonah B. Haber, Mit H. Naik +2

Understanding exciton-defect interactions is critical for optimizing optoelectronic and quantum information applications in many materials. However, ab initio simulations of materi…

cond-mat.mtrl-sci2025

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…

cond-mat.mtrl-sci2025

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…