Publication

Polaron hopping through piecewise-linear functionals

Related publications (32)

Implications of the DFT plus U method on polaron properties in energy materials

To model polaronic behavior in strongly correlated transition-metal oxideswith ab initio methods, one typically requires a level of theory beyond that of local density or general gradient density functional theory (DFT) approximations to account for the st ...

Amer Physical Soc2017

Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy

Majed Chergui, Gloria Capano, Thomas Charles Henry Rossi, Andre Al Haddad, Dominik Kinschel, Lars-Hendrik Mewes, Jakob Grilj, Fabio Giacomo Santomauro, James Michael Budarz

We report on an element-selective study of the fate of charge carriers in photoexcited inorganic CsPbBr3 and CsPb(ClBr)(3) perovskite nanocrystals in toluene solutions using time-resolved X-ray absorption spectroscopy with 80 ps time resolution. Probing th ...

Amer Inst Physics2017

Electron-Phonon Coupling in the Bulk of Anatase TiO2 Measured by Resonant Inelastic X-Ray Spectroscopy

Marco Grioni, Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Simon Karl Moser, Sara Fatale

We investigate the polaronic ground state of anatase TiO2 by bulk-sensitive resonant inelastic x-ray spectroscopy (RIXS) at the Ti L-3 edge. We find that the formation of the polaron cloud involves a single 95 meV phonon along the c axis, in addition to th ...

Amer Physical Soc2015

Electron-Phonon Coupling in the Bulk of Anatase

Marco Grioni, Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Simon Karl Moser, Sara Fatale

We investigate the polaronic ground state of anatase TiO2 by bulk-sensitive resonant inelastic x-ray spectroscopy (RIXS) at the Ti L3 edge. We find that the formation of the polaron cloud involves a single 95 meV phonon along the c axis, in addition to the ...

American Physical Society2015

Ultrafast spectroscopy of wide bandgap semiconductor nanostructures

Mehran Shahmohammadi

Group III-nitrides have been considered a promising choice for the realization of optoelectronic devices since 1970. Since the first demonstration of the high-brightness blue light-emitting diodes (LEDs) by Shuji Nakamura and coworkers, the fabrication of ...

EPFL2015

Conductivity in organic semiconductors hybridized with the vacuum field

Francesco Stellacci

Much effort over the past decades has been focused on improving carrier mobility in organic thin-film transistors by optimizing the organization of the material or the device architecture. Here we take a different path to solving this problem, by injecting ...

Nature Publishing Group2015

Spin processes and charge dynamics in organic light emitting diodes

Francesco Comandè

In this thesis work we explore spin dependent processes and charge dynamics in α-NPD/Alq₃ based LEDs. Studies on polymer light emitting diodes based on PFO, which are fabricated by us, are also reported. Our objective is to shed light on the fundamental me ...

EPFL2014

Ultrafast Relaxation of the Poly(3-hexylthiophene) Emission Spectrum

Natalie Renuka Banerji, Eric Vauthey

The femtosecond-resolved evolution of the emission spectrum of the important conjugated polymer poly(3-hexylthiophene) (P3HT) is presented. Detailed fluorescence up-conversion spectroscopy was performed on P3HT solid-state films and on P3HT in chlorobenzen ...

American Chemical Society2011

Intrinsic dynamics of weakly and strongly confined excitons in nonpolar nitride-based heterostructures

Nicolas Grandjean, Benoît Marie Joseph Deveaud, Jacques Levrat, Jean-Daniel Ganière, Pierre Michel Corfdir

Both weakly and strongly confined excitons are studied by time-resolved photoluminescence in a nonpolar nitride-based heterostructure grown by molecular beam epitaxy on the a-facet of a bulk GaN crystal, with an ultralow dislocation density of 2 × 105 cm-2 ...

2011

New Approaches towards Organic Photodetection and Bio-Integration

Diego Ghezzi

Organic semiconductors technology has only recently started to merge with biology and medicine, especially in the field of polymeric coatings as protective layers for artificial devices. Very few examples, however, report the use of semiconducting polymers ...

2010

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