39 citations · 133 across the 6 of their papers we have counts for
7 papers
Multiscale computational study of the dielectric response of semi-crystalline polyethylene with chemical defects
Roshal Perepadan Shaju, Guido Roma, Xavier Colin
Polymers are widely used as functional insulating materials, but predicting their dielectric behavior is challenging because multiple mechanisms, acting across different spatial an…
Challenges in predicting positron annihilation lifetimes in lead halide perovskites: correlation functionals and polymorphism
Kajal Madaan, Guido Roma, Jasurbek Gulomov +3
Halide perovskites have emerged in the last decade as a new important class of semiconductors for a variety of optoelectronic applications. A lot of previous studies were thus devo…
Understanding first order Raman spectra of boron carbides across the homogeneity range
Guido Roma, Kevin Gillet, Antoine Jay +2
Boron carbide, a lightweight, high temperature material, has various applications as a structural material and as a neutron absorber. The large solubility range of carbon in boron,…
Atomic scale mechanisms controlling the oxidation of polyethylene: a first principles study
Yunho Ahn, Xavier Colin, Guido Roma
Understanding the degradation mechanisms of aliphatic polymers by thermal oxidation and radio-oxidation is very important in order to assess their lifetime in a variety of industri…
From latent ferroelectricity to hyperferroelectricity in alkali lead halide perovskites
Guido Roma, Arthur Marronnier, Jacky Even
Using first principles calculations we show that several alkali lead halides potentially present collective ferroelectric polarization. This should occur at least at the nanoscale;…
Influence of Disorder and Anharmonic Fluctuations on the Dynamical Rashba Effect in Purely Inorganic Lead-Halide Perovskites
Arthur Marronnier, Guido Roma, Marcelo Carignano +5
Doping organic metal-halide perovskites with cesium could be the best solution to stabilize highly-efficient perovskite solar cells. The understanding of the respective roles of th…
Energetics and metastability of the silicon vacancy in cubic SiC
Fabien Bruneval, Guido Roma
The silicon vacancy is a prominent intrinsic defect of cubic SiC (3C-SiC) to which much effort has been devoted so far, experimentally and theoretically. We calculate its propertie…