| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Rubio, Angel
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (20/20 displayed)
- 2022Excited-state band structure mappingcitations
- 2022Few-Femtosecond Dynamics of Free-Free Opacity in Optically Heated Metalscitations
- 2021Ultrafast dynamical Lifshitz transitioncitations
- 2020Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditionscitations
- 2020Electron-phonon-driven three-dimensional metallicity in an insulating cupratecitations
- 2020Electron-phonon-driven three-dimensional metallicity in an insulating cupratecitations
- 2019Magic continuum in twisted bilayer WSe2
- 2018Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materialscitations
- 2018Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materialscitations
- 2018Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
- 2016Bilayer SnS2: Tunable stacking sequence by charging and loading pressurecitations
- 2016Density functional theory study of the α-γ phase transition in cerium: Role of electron correlation and f -orbital localizationcitations
- 2016Generation and evolution of spin-, valley-, and layer-polarized excited carriers in inversion-symmetric WSe2citations
- 2016Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubescitations
- 2014Instantaneous Band Gap Collapse in Photoexcited Monoclinic VO2 due to Photocarrier Dopingcitations
- 2013Simulating lattice image of suspended graphene taken by Helium ion microscopy
- 2013First principles study of the collective excitations in 2D materials
- 2013Loss spectroscopy of molecular solids: combining experiment and theorycitations
- 2013Loss spectroscopy of molecular solids: combining experiment and theorycitations
- 2008Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphenecitations
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document
Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
Abstract
We present a density-matrix embedding theory (DMET) study of the one-dimensional Hubbard-Holstein model, which is paradigmatic for the interplay of electron-electron and electron-phonon interactions. Analyzing the single-particle excitation gap, we find a direct Peierls insulator to Mott insulator phase transition in the adiabatic regime of slow phonons in contrast to a rather large intervening metallic phase in the anti-adiabatic regime of fast phonons. We benchmark the DMET results for both on-site energies and excitation gaps against density-matrix renormalization group (DMRG) results and find excellent agreement of the resulting phase boundaries. We also compare the fully quantum treatment of phonons against the standard Born-Oppenheimer (BO) approximation. The BO approximation gives qualitatively similar results to DMET in the adiabatic regime, but fails entirely in the anti-adiabatic regime, where BO predicts a sharp direct transition from Mott to Peierls insulator, whereas DMET correctly shows a large intervening metallic phase. This highlights the importance of quantum fluctuations in the phononic degrees of freedom for metallicity in the one-dimensional Hubbard-Holstein model....