Publications associées à Théorie du champ moyen dynamique

Two-fold symmetric superconductivity in few-layer NbSe2

The strong Ising spin-orbit coupling in certain two-dimensional transition metal dichalcogenides can profoundly affect the superconducting state in few-layer samples. For example, in NbSe2, this effect combines with the reduced dimensionality to stabilize ...

NATURE RESEARCH2021

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

Nicola Marzari, Iurii Timrov, Matteo Cococcioni, Francesco Aquilante, Luca Binci

We present a derivation of the exact expression for Pulay forces in density-functional theory calculations augmented with extended Hubbard functionals and arising from the use of orthogonalized atomic orbitals as projectors for the Hubbard manifold. The de ...

AMER PHYSICAL SOC2020

Thermal origin of quasilocalized excitations in glasses

Matthieu Wyart, Thomas Willem Jan de Geus, Elisabeth Agoritsas, Wencheng Ji, Marko Popovic

Key aspects of glasses are controlled by the presence of excitations in which a group of particles can rearrange. Surprisingly, recent observations indicate that their density is dramatically reduced and their size decreases as the temperature of the super ...

AMER PHYSICAL SOC2020

Quantum phase transitions and the role of impurity-substrate hybridization in Yu-Shiba-Rusinov states

Klaus Kern, Jacob Senkpiel, Haonan Huang

Spin-dependent scattering from magnetic impurities inside a superconductor gives rise to Yu-Shiba-Rusinov (YSR) states within the superconducting gap. They can be modeled by the largely equivalent Kondo or Anderson impurity models. The role of the magnetic ...

NATURE RESEARCH2020

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

Nicola Marzari, Iurii Timrov, Artur Braun, Matteo Cococcioni, Xinyu Zhang, Daniele Passerone, Piyush Agrawal

We present a joint theoretical and experimental study of the oxygen K-edge spectra for LaFeO3 and homovalent Ni-substituted LaFeO3 (LaFe0.75Ni0.25O3), using first-principles simulations based on density-functional theory with extended Hubbard functionals a ...

AMER PHYSICAL SOC2020

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Majed Chergui, Marco Grioni, Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Alberto Crepaldi, Luca Moreschini, Simon Karl Moser, Gianmarco Gatti, Serhii Polishchuk

In nodal-line semimetals, linearly dispersing states form Dirac loops in the reciprocal space with a high degree of electron-hole symmetry and a reduced density of states near the Fermi level. The result is reduced electronic screening and enhanced correla ...

2020

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Michael Graetzel, Matthew Thomas Mayer, Yimeng Ma

Water oxidation is the key kinetic bottleneck of photoelectrochemical devices for fuel synthesis. Despite advances in the identification of intermediates, elucidating the catalytic mechanism of this multi-redox reaction on metal-oxide photoanodes remains a ...

NATURE PUBLISHING GROUP2020

Non-monotonic pressure dependence of high-field nematicity and magnetism in CeRhIn5

Philip Johannes Walter Moll, Kent Robert Shirer

CeRhIn5 provides a textbook example of quantum criticality in a heavy fermion system: Pressure suppresses local-moment antiferromagnetic (AFM) order and induces superconductivity in a dome around the associated quantum critical point (QCP) near p(c) approx ...

2020

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Théorie du champ moyen dynamique

Two-fold symmetric superconductivity in few-layer NbSe2

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

Out-of-equilibrium phase diagram of long-range superconductors

Thermal origin of quasilocalized excitations in glasses

Quantum phase transitions and the role of impurity-substrate hybridization in Yu-Shiba-Rusinov states

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT

Adiabatic motion and statistical mechanics via mass-zero constrained dynamics

Non-monotonic pressure dependence of high-field nematicity and magnetism in CeRhIn5

Graph Chatbot

Chattez avec Graph Search

Thermal origin of quasilocalized excitations in glasses

Two-fold symmetric superconductivity in few-layer NbSe2

Out-of-equilibrium phase diagram of long-range superconductors

Non-monotonic pressure dependence of high-field nematicity and magnetism in CeRhIn5

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Quantum phase transitions and the role of impurity-substrate hybridization in Yu-Shiba-Rusinov states

Adiabatic motion and statistical mechanics via mass-zero constrained dynamics

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT