Publications de Samuel Poncé | EPFL Graph Search

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One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients such as electro ...

The recently discovered Sr[Li2Al2O2N2]:Eu2+ red phosphor, candidate for the next generation of eco-efficient white light-emitting diodes, exhibits excellent emission spectral position and exceptionally small linewidth. It belongs to the UCr4C4-structure fa ...

Semiconducting polycrystalline thin films are cheap to produce and can be deposited on flexible substrates, yet high-performance electronic devices usually utilize single-crystal semiconductors, owing to their superior charge-carrier mobilities and longer ...

The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and thermomechanical and thermoelectric properties of materials. Here, we present general invariance and equ ...

Metal-halide perovskite semiconductors have attracted intense interest over the past decade, particularly for applications in photovoltaics. Low-energy optical phonons combined with significant crystal anharmonicity play an important role in charge-carrier ...

We investigate the structural, electronic, vibrational, power, and transport properties of the beta allotrope of Ga2O3 from first principles. We find phonon frequencies and elastic constants that reproduce the correct band ordering, in agreement with exper ...

Carrier mobility is at the root of our understanding of electronic devices. We present a unified methodology for the parameter-free calculations of phonon-limited drift and Hall carrier mobilities in real materials within the framework of the Boltzmann tra ...

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representi ...

Black phosphorus (BP) stands out among two-dimensional(2D) semiconductorsbecause of its high mobility and thickness dependent direct band gap.However, the quasiparticle band structure of ultrathin BP has remainedinaccessible to experiment thus far. Here we ...

The Hall scattering factor, r, is a key quantity for establishing carrier concentration and drift mobility from Hall measurements; in experiments, it is usually assumed to be 1. In this paper, we use a combination of analytical and ab initio modeling to de ...

The COVID-19 pandemic disrupted chemistry teaching practices globally as many courses were forced online, necessitating adaptation to the digital platform. The biggest impact was to the practical component of the chemistry curriculum-the so-called wet lab. ...

The prediction of material properties based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation packages. This plurality of codes and methods is both a boon ...

Molybdenum ditelluride (MoTe2) is attracting considerable interest since it is the archetypal type-II Weyl semimetal and a candidate for topological superconductivity. We investigate the superconducting phase diagram of two MoTe2 polymorphs using the ab in ...

Samuel Poncé

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First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Importance of Long-Range Channel Sr Displacements for the Narrow Emission in Sr[Li2Al2O2N2]:Eu2+ Phosphor

Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors

General invariance and equilibrium conditions for lattice dynamics in 1D, 2D, and 3D materials

Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI(3) single-crystal and polycrystalline perovskites

Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles

First-principles predictions of Hall and drift mobilities in semiconductors

Wannier90 as a community code: new features and applications

Electronic Structure of Few-Layer Black Phosphorus from & mu;-ARPES

Theory and Computation of Hall Scattering Factor in Graphene

Virtual Computational Chemistry Teaching Laboratories-Hands-On at a Distance

Common workflows for computing material properties using different quantum engines

Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory

Design rule for the emission linewidth of Eu 2+-activated phosphors