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Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond GW

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Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential libraries, based on sever ...

2018

Electronic Phase Separation and Dramatic Inverse Band Renormalization in the Mixed-Valence Cuprate LiCu2O2

Marco Grioni, Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Luca Moreschini, Simon Karl Moser, Gianmarco Gatti

We measured, by angle-resolved photoemission spectroscopy, the electronic structure of LiCu2O2, a mixed-valence cuprate where planes of Cu(I) (3d(10)) ions are sandwiched between layers containing one-dimensional edge-sharing Cu(II) (3d(9)) chains. We find ...

Amer Physical Soc2017

The thesis describes the computational study of structural, electonic and transport properties of monolayer transition metal dichalcogenides (TMDs) in the stable 2H and the metastable 1T' phases. Several aspects have been covered by the study including the ...

EPFL2017

We have investigated the electronic response of single crystals of indium selenide by means of angle-resolved photoemission spectroscopy, electron energy loss spectroscopy and density functional theory. The loss spectrum of indium selenide shows the direct ...

Nature Publishing Group2017

Bulk diffusive relaxation mechanisms in optically excited topological insulators

Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Alberto Crepaldi

The possibility to inject spin currents in topological insulators (TIs) by ultrashort optical pulses has stimulated intense studies of their out-of-equilibrium electronic properties. However, a comprehensive description of the electronic relaxation dynamic ...

Amer Physical Soc2017

One of the most unique and robust experimental facts about iron-based superconductors is the renormalization of the electronic band dispersion by factor of 3 and more near the Fermi level. Obviously related to the electron pairing, this prominent deviation ...

Amer Physical Soc2017

Investigation of interactions in two-dimensional electron gases with angular resolved photoemission spectroscopy

Carola Strasser

In this thesis, angular resolved photoemission spectroscopy (ARPES) is used to study the electronic structure of different two-dimensional electron systems (2DES). This technique is very surface sensitive and the most direct method to probe the surface ban ...

EPFL2015

electronic band structure of MgB2 involves a unique combination of two-and three-dimensional (3D) electrons derived from the boron sigma and pi states, respectively. We have mapped out the sigma and pi bands over the complete Brillouin zone, including the ...

Amer Physical Soc2015

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1T-TiSe2 is a quasi-two-dimensional transition metal dichalcogenide, which exhibits a charge density wave transition at a critical temperature of similar to 200 K as well as low-temperature superconductivity induced by pressure or intercalation. The electr ...

Amer Physical Soc2015

Phonon-limited resistivity of graphene by first-principles calculations: Electron-phonon interactions, strain-induced gauge field, and Boltzmann equation

Nicola Marzari, Thibault Daniel Pierre Sohier

We use first-principles calculations, at the density-functional-theory (DFT) and GW levels, to study both the electron-phonon interaction for acoustic phonons and the "synthetic" vector potential induced by a strain deformation (responsible for an effectiv ...

American Physical Society2014