Publications associées à Niveau de Fermi

Realization of Organocerium-Based Fullerene Molecular Materials Showing Mott Insulator-Type Behavior

Electron-rich organocerium complexes (C5Me4H)(3)Ce and [(C5Me5)(2)Ce(ortho-oxa)], with redox potentials E-1/2 = -0.82 V and E-1/2 = -0.86 V versus Fc/Fc(+), respectively, were reacted with fullerene (C-60) in different stoichiometries to obtain molecular m ...

Amer Chemical Soc2024

Type-I antiferromagnetic Weyl semimetal InMnTi2

Nicola Marzari, Davide Grassano, Luca Binci

Topological materials have been a main focus of studies in the past decade due to their protected properties that can be exploited for the fabrication of new devices. Among them, Weyl semimetals are a class of topological semimetals with nontrivial linear ...

College Pk2024

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections

Alfredo Pasquarello, Aleksei Tal, Thomas Bischoff

We demonstrate the importance of addressing the F vertex and thus going beyond the GW approximation for achieving the energy levels of liquid water in manybody perturbation theory. In particular, we consider an effective vertex function in both the polariz ...

Natl Acad Sciences2024

Weyl metallic state induced by helical magnetic order

Henrik Moodysson Rønnow, Jan Hugo Dil, Ivica Zivkovic, Jian Rui Soh, Xupeng Yang

In the rapidly expanding field of topological materials there is growing interest in systems whose topological electronic band features can be induced or controlled by magnetism. Magnetic Weyl semimetals, which contain linear band crossings near the Fermi ...

Berlin2024

Dataset to accompany publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films"

Giulia Tagliabue, Fateme Kiani Shahvandi, Alan Richard Bowman, Theodoros Tsoulos

This dataset accompanies the publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films" published in Light: Science & Applications (https://doi.org/10.1038/s41377-024-01408-2). The data can be used to reproduce plots 1-4 ...

Zenodo2024

Quantum-mechanical effects in photoluminescence from thin crystalline gold films

Giulia Tagliabue, Fateme Kiani Shahvandi, Alan Richard Bowman, Theodoros Tsoulos

Luminescence constitutes a unique source of insight into hot carrier processes in metals, including those in plasmonic nanostructures used for sensing and energy applications. However, being weak in nature, metal luminescence remains poorly understood, its ...

2024

Identification and thermal healing of focused ion beam-induced defects in GaN using off-axis electron holography

Nicolas Grandjean, Jean-François Carlin, Raphaël Butté, Yi Wang

Thermal healing of focused ion beam-implanted defects in GaN is investigated by off-axis electron holography in TEM. The data reveal that healing starts at temperatures as low as about 250 degrees C. The healing processes result in an irreversible transiti ...

Bristol2024

Solvation Free Energies from Machine Learning Molecular Dynamics

Nicola Marzari, Nicéphore Arthur François Bonnet

The present work proposes an extension to the approach of [Xi, C; et al. J. Chem. Theory Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) molecular dynamics (MD) simulations of a hybrid solvation model. The approa ...

Amer Chemical Soc2024

Fermi energy determination for advanced smearing techniques

Nicola Marzari, Flaviano José Dos Santos

Smearing techniques are widely used in first-principles calculations of metallic and magnetic materials where they improve the accuracy of Brillouin-zone sampling and lessen the impact of level-crossing instabilities. Smearing introduces a fictitious elect ...

AMER PHYSICAL SOC2023

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Niveau de Fermi

Realization of Organocerium-Based Fullerene Molecular Materials Showing Mott Insulator-Type Behavior

Type-I antiferromagnetic Weyl semimetal InMnTi2

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections

Weyl metallic state induced by helical magnetic order

Dataset to accompany publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films"

Quantum-mechanical effects in photoluminescence from thin crystalline gold films

Identification and thermal healing of focused ion beam-induced defects in GaN using off-axis electron holography

Thermoelectric power of overdoped Tl2201 crystals: charge density waves and resistivities

Solvation Free Energies from Machine Learning Molecular Dynamics

Fermi energy determination for advanced smearing techniques

Graph Chatbot

Chattez avec Graph Search

Type-I antiferromagnetic Weyl semimetal InMnTi2

Realization of Organocerium-Based Fullerene Molecular Materials Showing Mott Insulator-Type Behavior

Quantum-mechanical effects in photoluminescence from thin crystalline gold films

Solvation Free Energies from Machine Learning Molecular Dynamics

Dataset to accompany publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films"

Identification and thermal healing of focused ion beam-induced defects in GaN using off-axis electron holography

Thermoelectric power of overdoped Tl2201 crystals: charge density waves and resistivities

Fermi energy determination for advanced smearing techniques

Weyl metallic state induced by helical magnetic order

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections