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

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Photocarrier-induced band-gap renormalization and ultrafast charge dynamics in black phosphorus

Majed Chergui, Michele Puppin, Gianmarco Gatti

With its tunable band-gap and its unique optical and electronic properties black phosphorus (BP) opens exciting opportunities for optoelectronic nanotechnology. The band-gap extends from the visible to the mid-infrared spectral range, as a function of samp ...

2019

Unveiling the electronic transformations in the semi-metallic correlated-electron transitional oxide Mo8O23

Marco Grioni, Gianmarco Gatti

Mo8O23 is a low-dimensional chemically robust transition metal oxide coming from a prospective family of functional materials, MoO3-x, ranging from a wide gap insulator (x = 0) to a metal (x = 1). The large number of stoichometric compounds with intermedia ...

2019

Metal Substitution as the Method of Modifying Electronic Structure of Metal–Organic Frameworks

Berend Smit, Fatmah Ebrahim, Christopher Patrick Ireland, Olga Syzgantseva

Targeted modification of electronic structure is an important step in the optimization of metal–organic frameworks (MOFs) for photovoltaic, sensing, and photocatalytic applications. The key parameters to be controlled include the band gap, the absolute ene ...

2019

Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory

For properties of interacting electron systems, Kohn-Sham (KS) theory is often favored over many-body perturbation theory (MBPT), owing to its low computational cost. However, the exact KS potential can be challenging to approximate, for example in the pre ...

AMER PHYSICAL SOC2019

Charge-carrier Dynamics in Metal Oxides and Hybrid Lead Perovskites investigated by Time-Resolved UV and X-ray Spectroscopy

Thomas Charles Henry Rossi

In modern ultrafast optoelectronic technologies based on wide band gap insulators, the non-equilibrium dynamics of photogenerated charges plays a major role. Unravelling the mechanisms of interaction between these charge carriers and their environment is c ...

EPFL2018

Precision and efficiency in solid-state pseudopotential calculations

Nicola Marzari, Nicolas Frank Mounet, Antimo Marrazzo, Ivano Eligio Castelli, Gianluca Prandini

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

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Claudia Giuseppina Fatuzzo

In materials where electrons interact strongly, a number of exotic and exciting phenomena arise. The mechanisms at the base of many of these phenomena remain debated, as strongly correlated electron physics represents one of the biggest challenges for mode ...

EPFL2017

Indium selenide: an insight into electronic band structure and surface excitations

Davide Campi

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

Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4

Henrik Moodysson Rønnow, Marco Grioni, Johan Juul Chang, Simon Karl Moser, Gianmarco Gatti, Claudia Giuseppina Fatuzzo

A paradigmatic case of multi-band Mott physics including spin-orbit and Hund's coupling is realized in Ca2RuO4. Progress in understanding the nature of this Mott insulating phase has been impeded by the lack of knowledge about the low-energy electronic str ...

2017

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

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Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Photocarrier-induced band-gap renormalization and ultrafast charge dynamics in black phosphorus

Unveiling the electronic transformations in the semi-metallic correlated-electron transitional oxide Mo8O23

Metal Substitution as the Method of Modifying Electronic Structure of Metal–Organic Frameworks

Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory

Charge-carrier Dynamics in Metal Oxides and Hybrid Lead Perovskites investigated by Time-Resolved UV and X-ray Spectroscopy

Precision and efficiency in solid-state pseudopotential calculations

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Indium selenide: an insight into electronic band structure and surface excitations

Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4

Unveiling the electronic transformations in the semi-metallic correlated-electron transitional oxide Mo8O23

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Charge-carrier Dynamics in Metal Oxides and Hybrid Lead Perovskites investigated by Time-Resolved UV and X-ray Spectroscopy

Indium selenide: an insight into electronic band structure and surface excitations

Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4

Metal Substitution as the Method of Modifying Electronic Structure of Metal–Organic Frameworks

Photocarrier-induced band-gap renormalization and ultrafast charge dynamics in black phosphorus

Precision and efficiency in solid-state pseudopotential calculations