Concept

Délocalisation électronique

Publications associées (85)

Trisubstituted geminal diazaalkene derived transient 1,2-carbodications

The coulombic repulsion between two adjacent cation centres of 1,2-carbodications is known to decrease with pi- and/or n-donor substituents by a positive charge delocalization. Here we report the delocalization of the positive charge of transient 1,2-carbo ...

ROYAL SOC CHEMISTRY2020

Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization

Alfredo Pasquarello, Stefano Falletta, Julia Anna Wiktor

We study the nature of excess electrons in CsPbBr3 and identify several single and double polaronic states. We emphasize the importance of proper inclusion of the self-interaction corrections for the stability of small electron polarons in this material. W ...

AMER CHEMICAL SOC2020

Direct Observation of the Statics and Dynamics of Emergent Magnetic Monopoles in a Chiral Magnet

Henrik Moodysson Rønnow, Jonathan White

In the three-dimensional (3D) Heisenberg model, topological point defects known as spin hedgehogs behave as emergent magnetic monopoles, i.e., quantized sources and sinks of gauge fields that couple strongly to conduction electrons, and cause unconventiona ...

AMER PHYSICAL SOC2020

Strong photon coupling to the quadrupole moment of an electron in a solid-state qubit

Pasquale Scarlino

The fundamental concept of light–matter interaction is routinely realized by coupling the quantized electric field in a cavity to the dipole moment of a real or an artificial atom. A recent proposal1,2, motivated by the prospect of overcoming the decoherin ...

2020

Hidden, entangled and resonating order

Henrik Moodysson Rønnow, Gabriel Aeppli

In condensed matter systems, the atoms, electrons or spins can sometimes arrange themselves in ways that result in unexpected properties but that cannot be detected by conventional experimental probes. Several historical and contemporary examples of such h ...

NATURE PUBLISHING GROUP2020

Hexayne Amphiphiles and Bolaamphiphiles

Rosario Scopelliti, Holger Frauenrath, Enzo Jean Raymond Bomal, Reuben Yeo Jueyuan, Vincent Matthieu Guillaume Croué

Oligoynes with two or more conjugated carbon-carbon triple bonds are useful precursors for carbon-rich nanomaterials. However, their range of app0lications has so far been severly limited by the challenging syntheses, particularly in the case of oligoynes ...

2020

Exploring the Kondo Effect of an Extended Impurity with Chains of Co Adatoms in a Magnetic Field

Frédéric Mila

Motivated by recent STM experiments, we explore the magnetic field induced Kondo effect that takes place at symmetry protected level crossings in finite Co adatom chains. We argue that the effective two-level system realized at a level crossing acts as an ...

AMER PHYSICAL SOC2019

Electronic localization in CaVO3 films via bandwidth control

Thorsten Schmitt, Vladimir N. Strocov, Xingye Lu, Sophie Beck

Understanding and controlling the electronic structure of thin layers of quantum materials is a crucial first step towards designing heterostructures where new phases and phenomena, including the metal-insulator transition (MIT), emerge. Here, we demonstra ...

Springer2019

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

Nicola Marzari, Matteo Cococcioni

Transition-metal compounds pose serious challenges to first-principles calculations based on density functional theory (DFT), due to the inability of most approximate exchange-correlation functionals to capture the localization of valence electrons on thei ...

AMER PHYSICAL SOC2019

Suprathermal electron driven fishbone instability in the TCV tokamak

Stefano Coda, Jonathan Graves, Laurie Porte, Antoine Pierre Emmanuel Alexis Merle, Joan Decker

Observations of fishbone oscillations driven by energetic electrons have been reported in several tokamaks, but experimental evidence of the interaction between electrons and the mode has remained limited. In the TCV tokamak, a state-of-the-art multi-chann ...

2019

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