Electron-phonon interactions from first principles
F Giustino - Reviews of Modern Physics, 2017 - APS
This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …
Discovering and understanding materials through computation
Materials modelling and design using computational quantum and classical approaches is
by now well established as an essential pillar in condensed matter physics, chemistry and …
by now well established as an essential pillar in condensed matter physics, chemistry and …
[HTML][HTML] Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N Tancogne-Dejean, MJT Oliveira… - The Journal of …, 2020 - pubs.aip.org
Over the last few years, extraordinary advances in experimental and theoretical tools have
allowed us to monitor and control matter at short time and atomic scales with a high degree …
allowed us to monitor and control matter at short time and atomic scales with a high degree …
Temperature-Dependent Optical Band Gap in CsPbBr3, MAPbBr3, and FAPbBr3 Single Crystals
Single crystals represent a benchmark for understanding the bulk properties of halide
perovskites. We have indeed studied the dielectric function of lead bromide perovskite …
perovskites. We have indeed studied the dielectric function of lead bromide perovskite …
Experimental and theoretical optical properties of methylammonium lead halide perovskites
The optical constants of methylammonium lead halide single crystals CH3NH3PbX3 (X= I,
Br, Cl) are interpreted with high level ab initio calculations using the relativistic quasiparticle …
Br, Cl) are interpreted with high level ab initio calculations using the relativistic quasiparticle …
Optical Transitions in Hybrid Perovskite Solar Cells: Ellipsometry, Density Functional Theory, and Quantum Efficiency Analyses for
M Shirayama, H Kadowaki, T Miyadera, T Sugita… - Physical Review …, 2016 - APS
Light-induced photocarrier generation is an essential process in all solar cells, including
organic-inorganic hybrid (CH 3 NH 3 PbI 3) solar cells, which exhibit a high short-circuit …
organic-inorganic hybrid (CH 3 NH 3 PbI 3) solar cells, which exhibit a high short-circuit …
Electronic excitations: density-functional versus many-body Green's-function approaches
Electronic excitations lie at the origin of most of the commonly measured spectra. However,
the first-principles computation of excited states requires a larger effort than ground-state …
the first-principles computation of excited states requires a larger effort than ground-state …
Control over topological insulator photocurrents with light polarization
JW McIver, D Hsieh, H Steinberg… - Nature …, 2012 - nature.com
Three-dimensional topological insulators,, represent a new quantum phase of matter with
spin-polarized surface states, that are protected from backscattering. The static electronic …
spin-polarized surface states, that are protected from backscattering. The static electronic …
Time-dependent density-functional theory: concepts and applications
CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …
interacting electronic many-body systems formally exactly and in a practical and efficient …
Electron-hole excitations and optical spectra from first principles
M Rohlfing, SG Louie - Physical Review B, 2000 - APS
We present a recently developed approach to calculate electron-hole excitations and the
optical spectra of condensed matter from first principles. The key concept is to describe the …
optical spectra of condensed matter from first principles. The key concept is to describe the …