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We present a first-principles approach for inelastic quantum transport calculations based on maximally localized Wannier functions. Electronic-structure properties are obtained from density-functional theory in a plane-wave basis, and electron-vibration co ...
Amer Physical Soc2013
The photoelectron properties of DNA and RNA bases are studied using many-body perturbation theory within the GW approximation, together with a recently developed Lanczos-chain approach. Calculated vertical ionization potentials, electron affinities, and to ...
We use many-body perturbation theory, the state-of-the-art method for band-gap calculations, to compute the band offsets at the Si/SiO2 interface. We examine the adequacy of the usual approximations in this context. We show that (i) the separate treatment ...
A quantitative application of microradiology with coherent X-rays to the real-time study of microbubble and microdroplet coalescence phenomena, with specific emphasis on the size relations in three-body events, is presented. The results illustrate the rema ...
This thesis presents a theoretical description of the phase transition, with formation of long-range spatial coherence, occurring in a gas of exciton-polaritons in a semiconductor microcavity structure. The results and predictions of the theories developed ...
I report on the effect of a moderate excess electron population on nonlinearities in modulation-doped CdTe quantum wells. I show that the electron population does not qualitatively affect the nature of correlations between excitons. In this respect, I brin ...
This thesis work contains an experimental study of many-body and cooperative effects in quantum wells. Many-body effects prove important for an understanding of the physical and specifically optical properties of semiconductors. The Coulomb interaction bet ...
Abstract Electronic properties of low-dimensional systems — and particularly quasi-one-dimensional systems — together with related correlated electron phenomena have for quite some time been at the very frontier of condensed matter physics. The interest ra ...
The charge density of urea is studied using very high precision single-crystal synchrotron-radiation diffraction data collected at the Swiss-Norwegian Beam Lines at ESRF. An unprecedented resolution of 1.44 Å-1 in sin[theta][/][lambda] is obtained at 123 K ...
Energy functionals which depend explicitly on orbital densities, rather than on the total charge density, appear when applying self-interaction corrections to density-functional theory; this is, e.g., the case for Perdew-Zunger and Koopmans-compliant funct ...
