| 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 | 124 | 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 | 90 | 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 | 50 | 2020 |
| Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures M Zacharias, M Scheffler, C Carbogno Physical Review B 102 (045126), 2020 | 31 | 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 | 23 | 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 | 22 | 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 | 18 | 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 | 15 | 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 | 14 | 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 | 11 | 2021 |
| Temperature dependence of the optical properties of silicon nanocrystals M Zacharias, PC Kelires Physical Review B 101 (24), 245122, 2020 | 11 | 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 | 10 | 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 | 10 | 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 | 8 | 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 | 6 | 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 | 5 | 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 | 5 | 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 | 3 | 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 | 3 | 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 | 2 | 2023 |
Feliciano GiustinoMoncrief Chair of Quantum Materials Engineering, University of TexasVerified email at oden.utexas.edu
