4 papers · 1 filter
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,…
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…