37 citations · 68 across the 6 of their papers we have counts for
6 papers
Ab Initio Many-Body Perturbation Theory Calculations of the Electronic and Optical Properties of Cyclometalated Ir(III) Complexes
Marco Cazzaniga, Fausto Cargnoni, Marta Penconi +2
Cyclometalled Ir(III) compounds are the preferred choice as organic emitters in Organic Light Emitting Diodes. In practice, the presence of the transition metals surrounded by care…
Unraveling the degradation mechanism of FIrpic based blue OLEDs: I. A theoretical investigation
Marco Cazzaniga, Fausto Cargnoni, Marta Penconi +2
We report a detailed ab-initio study of the of the microscopic degradation mechanism of FIrpic, a popular blue emitter in OLED devices. We simulate the \emph{operando} conditions o…
Unraveling the degradation mechanism in FIrpic based Blue OLEDs: II. Trap and detect molecules at the interfaces
Marta Penconi, Marco Cazzaniga, Walter Panzeri +4
The impact of organic light emitting diodes (OLEDs) in modern life is witnessed by their wide employment in full-color, energy-saving, flat panel displays and smart-screens; a brig…
Many-body effects in TiSe2: Can GW describe an Excitonic Insulator?
M. Cazzaniga, H. Cercellier, M. Holzmann +4
We present both theoretical ab initio GW and experimental angle-resolved photoemission (ARPES) and scanning tunneling (STS) spectroscopy results on TiSe2. With respect to the densi…
Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes
Carlo Motta, Marco Cazzaniga, Andrea Bordoni +1
We have investigated polyyne and cumulene prototypes based on the density-functional theory. Our independent-particle spectra show that the various carbynes can be distinguished by…
Ab-initio self-energy corrections in systems with metallic screening
Marco Cazzaniga, Nicola Manini, Luca Guido Molinari +1
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When n…