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Composition-controlled optical fingerprints and anisotropy of self-trapped excitons in double perovskites
Simone Grillo, Offir Zachs Maishlos, Liya Koren +7
Double perovskites (DPs) offer a compositionally versatile platform for photocatalysis and optoelectronics, but their soft lattices favor strong exciton-phonon coupling and self-tr…
Quasiparticle effects and strong excitonic features in exfoliable 1D semiconducting materials
Simone Grillo, Chiara Cignarella, Friedhelm Bechstedt +5
We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on ch…
Tunable second harmonic generation in 2D materials: comparison of different strategies
Simone Grillo, Elena Cannuccia, Maurizia Palummo +2
Nonlinear optical frequency conversion, where optical fields interact with a nonlinear medium to generate new frequencies, is a key phenomenon in modern photonic systems. However,…
Interplay of quantum confinement and strain effects in type I to type II transition in Ge/Si core-shell nanocrystals
Ivan Marri, Stefano Ossicini, Michele Amato +2
The electronic properties of hydrogenated, spherical, Si/Ge and Ge/Si core-shell nanocrystals with a diameter ranging from 1.8 to 4.0 nm are studied within Density Functional Theor…