[HTML][HTML] Electron–phonon physics from first principles using the EPW code
EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …
and related materials properties. The code combines density functional perturbation theory …
Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
We probe the accuracy limit of ab initio calculations of carrier mobilities in semiconductors,
within the framework of the Boltzmann transport equation. By focusing on the paradigmatic …
within the framework of the Boltzmann transport equation. By focusing on the paradigmatic …
Mobility of two-dimensional materials from first principles in an accurate and automated framework
We present a first-principles approach to compute the transport properties of 2D materials in
an accurate and automated framework. We use density-functional perturbation theory in the …
an accurate and automated framework. We use density-functional perturbation theory in the …
Dimensional crossover in the carrier mobility of two-dimensional semiconductors: the case of InSe
Two-dimensional (2D) semiconductors are at the center of an intense research effort aimed
at developing the next generation of flexible, transparent, and energy-efficient electronics. In …
at developing the next generation of flexible, transparent, and energy-efficient electronics. In …
[HTML][HTML] The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations
Abstract elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled
electron–phonon Boltzmann transport equations from first principles. Using results from …
electron–phonon Boltzmann transport equations from first principles. Using results from …
Two-dimensional plasmonic polarons in -doped monolayer
We report experimental and theoretical evidence of strong electron-plasmon interaction in n-
doped single-layer MoS 2. Angle-resolved photoemission spectroscopy measurements …
doped single-layer MoS 2. Angle-resolved photoemission spectroscopy measurements …
Ab initio calculation of carrier mobility in semiconductors including ionized-impurity scattering
The past decade has seen the emergence of ab initio computational methods for calculating
phonon-limited carrier mobilities in semiconductors with predictive accuracy. More realistic …
phonon-limited carrier mobilities in semiconductors with predictive accuracy. More realistic …
Ab initio Van der Waals electrodynamics: Polaritons and electron scattering from plasmons and phonons in BN-capped graphene
Plasmons and polar phonons are elementary electrodynamic excitations of matter. In two
dimensions and at long wavelengths, they couple to light and act as the system polaritons …
dimensions and at long wavelengths, they couple to light and act as the system polaritons …
Plasmonic polarons induced by alkali-atom deposition in hafnium disulfide
We combine ab initio calculations based on many-body perturbation theory and the
cumulant expansion with angle-resolved photoemission spectroscopy (ARPES) to quantify …
cumulant expansion with angle-resolved photoemission spectroscopy (ARPES) to quantify …
Ab initio theory of free-carrier absorption in semiconductors
The absorption of light by free carriers in semiconductors results in optical loss for all photon
wavelengths. Since free-carrier absorption competes with optical transitions across the band …
wavelengths. Since free-carrier absorption competes with optical transitions across the band …