DFT-based (HSE06) investigation of band gap engineering: Optoelectronic, mechanical and thermodynamic insights in Cs2AgBiY6 (YBr, I) for photovoltaic …

M Eddekkar, H El-Ouaddi, A Labrag, M Bghour… - Micro and …, 2024 - Elsevier
The study investigates the properties of double perovskites Cs 2 AgBiBr 6 and Cs 2 AgBiI 6,
focusing on their structural, mechanical, dynamic, thermodynamic, and optic properties …

Influence of out-of-plane response on optical properties of two-dimensional materials: First principles approach

L Matthes, O Pulci, F Bechstedt - Physical Review B, 2016 - APS
The ab initio calculation of optical spectra of sheet crystals usually arranges them in a three-
dimensional superlattice with a sufficiently large interlayer distance. We show how the …

Complementary perturbative and nonperturbative pictures of plasmonically induced electron emission from flat metal surfaces

B Gumhalter, D Novko - Progress in Surface Science, 2023 - Elsevier
Recent high resolution multiphoton photoemission studies of low index Ag surfaces have
revealed spectral features whose energetics was controlled by multiple quanta of plasmon …

Optimizing Cs2AgXCl6 (X= Bi, In) double perovskites for light-harvesting devices

M Eddekkar, H El-Ouaddi, A Labrag, M Bghour… - Materials Today …, 2024 - Elsevier
Abstract This research employed Density Functional Theory (DFT) calculations, utilizing both
GGA-PBEsol and HSE06 approximations, to comprehensively investigate the impact of …

Optically driven plasmons in graphene/hBN van der Waals heterostructures: simulating s-SNOM measurements

N Golenić, S de Gironcoli, V Despoja - Nanophotonics, 2024 - degruyter.com
Converting transverse photons into longitudinal two-dimensional plasmon-–polaritons (2D-
PP) and vice versa presents a significant challenge within the fields of photonics and …

Unconventional Thermophotonic Charge Density Wave

CL Zhou, Z Torbatian, SH Yang, Y Zhang, HL Yi… - Physical Review Letters, 2024 - APS
Charge-order states of broken symmetry, such as charge density wave (CDW), are able to
induce exceptional physical properties, however, the precise understanding of the …

Surface susceptibility and conductivity of and monolayers: A first-principles and ellipsometry characterization

JD Elliott, Z Xu, P Umari, G Jayaswal, M Chen, X Zhang… - Physical Review B, 2020 - APS
We employ a recent formulation for the optical properties of two-dimensional crystals from
first principles [L. Matthes, New J. Phys. 16, 105007 (2014) NJOPFM 1367-2630 …

Dopant-induced plasmon decay in graphene

D Novko - Nano letters, 2017 - ACS Publications
Chemically doped graphene could support plasmon excitations up to telecommunication or
even visible frequencies. Apart from that, the presence of dopant may influence electron …

Tailored plasmon polariton landscape in graphene/boron nitride patterned heterostructures

N Golenić, S de Gironcoli, V Despoja - npj 2D Materials and …, 2024 - nature.com
Surface plasmon polaritons (SPPs), which are electromagnetic modes representing
collective oscillations of charge density coupled with photons, have been extensively …

Ab initio study of electromagnetic modes in two-dimensional semiconductors: Application to doped phosphorene

D Novko, K Lyon, DJ Mowbray, V Despoja - Physical Review B, 2021 - APS
Starting from the rigorous quantum-field-theory formalism, we derive a formula for the
screened conductivity designed to study the coupling of light with elementary electron …