Samuel Poncé

Cette personne n’est plus à l’EPFL

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Publications associées (16)

Wannier90 as a community code: new features and applications

Nicola Marzari, Giovanni Pizzi, Marco Gibertini, Antimo Marrazzo, Hyungjun Lee, Junfeng Qiao, Samuel Poncé, Lorenzo Paulatto, Daniel John Gilles Marchand

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 ...

2020

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

Samuel Poncé, Feliciano Giustino

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 ...

2020

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

Samuel Poncé, Feliciano Giustino

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 ...

IOP PUBLISHING LTD2020

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

Samuel Poncé, Feliciano Giustino

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 ...

AMER PHYSICAL SOC2020

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

Samuel Poncé

ELSEVIER2020

Theory and Computation of Hall Scattering Factor in Graphene

Samuel Poncé, Feliciano Giustino

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 ...

AMER CHEMICAL SOC2020

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

Samuel Poncé, Feliciano Giustino

IOP PUBLISHING LTD2020

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

Samuel Poncé

ELSEVIER2020

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

Samuel Poncé, Feliciano Giustino

2020