Marios Zacharias
Marios Zacharias
FOTON Institute, INSA Rennes, France
Verified email at - Homepage
Cited by
Cited by
One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization
M Zacharias, F Giustino
PHYSICAL REVIEW B 94 (075125), 19, 2016
Stochastic approach to phonon-assisted optical absorption
M Zacharias, CE Patrick, F Giustino
Physical Review Letters 115 (Iss. 17 — 23 October 2015), 177401, 2015
Theory of the special displacement method for electronic structure calculations at finite temperature
M Zacharias, F Giustino
Physical Review Research 2 (1), 013357, 2020
Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures
M Zacharias, M Scheffler, C Carbogno
Physical Review B 102 (045126), 2020
Van der Waals Interactions and Anharmonicity in the Lattice Vibrations, Dielectric Constants, Effective Charges, and Infrared Spectra of the Organic–Inorganic Halide Perovskite CH3NH …
MA Perez-Osorio, A Champagne, M Zacharias, GM Rignanese, F Giustino
The Journal of Physical Chemistry C 121 (34), 18459-18471, 2017
Accessing the anisotropic nonthermal phonon populations in black phosphorus
H Seiler, D Zahn, M Zacharias, PN Hildebrandt, T Vasileiadis, ...
Nano Letters 21 (14), 6171-6178, 2021
Efficient first-principles methodology for the calculation of the all-phonon inelastic scattering in solids
M Zacharias, H Seiler, F Caruso, D Zahn, F Giustino, PC Kelires, ...
Physical review letters 127 (20), 207401, 2021
Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1–xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency …
L Schade, S Mahesh, G Volonakis, M Zacharias, B Wenger, F Schmidt, ...
ACS Energy Letters 6 (3), 1073-1081, 2021
Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials
M Zacharias, H Seiler, F Caruso, D Zahn, F Giustino, PC Kelires, ...
Physical Review B 104 (20), 205109, 2021
Temperature‐Dependent Electronic Ground‐State Charge Transfer in van der Waals Heterostructures
S Park, H Wang, T Schultz, D Shin, R Ovsyannikov, M Zacharias, ...
Advanced Materials 33 (29), 2008677, 2021
Temperature dependence of the optical properties of silicon nanocrystals
M Zacharias, PC Kelires
Physical Review B 101 (24), 245122, 2020
Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6
VA Ha, G Volonakis, H Lee, M Zacharias, F Giustino
The Journal of Physical Chemistry C 125 (39), 21689-21700, 2021
Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles
TA Huang, M Zacharias, DK Lewis, F Giustino, S Sharifzadeh
The Journal of Physical Chemistry Letters 12 (15), 3802-3808, 2021
Direct View of Phonon Dynamics in Atomically Thin MoS2
TL Britt, Q Li, LP René de Cotret, N Olsen, M Otto, SA Hassan, ...
Nano Letters 22 (12), 4718-4724, 2022
Two-dimensional plasmonic polarons in -doped monolayer
F Caruso, P Amsalem, J Ma, A Aljarb, T Schultz, M Zacharias, V Tung, ...
Physical Review B 103 (20), 205152, 2021
A machine learning route between band mapping and band structure
RP Xian, V Stimper, M Zacharias, M Dendzik, S Dong, S Beaulieu, ...
Nature Computational Science, 1-14, 2022
Pb-free halide perovskites for solar cells, light-emitting diodes, and photocatalysts
P Jiang, D Acharya, G Volonakis, M Zacharias, M Kepenekian, ...
APL Materials 10 (6), 060902, 2022
Quantum Confinement of Electron–Phonon Coupling in Graphene Quantum Dots
M Zacharias, PC Kelires
The Journal of Physical Chemistry Letters 12 (40), 9940-9946, 2021
First-principles calculation of the all-phonon inelastic scattering in solids
M Zacharias, H Seiler, F Caruso, D Zahn, F Giustino, PC Kelires, ...
arXiv preprint arXiv:2103.10108, 2021
Universal scaling laws for charge-carrier interactions with quantum confinement in lead-halide perovskites
P Tamarat, E Prin, Y Berezovska, A Moskalenko, TPT Nguyen, C Xia, ...
Nature Communications 14 (1), 229, 2023
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