10 citations · 10 across the 3 of their papers we have counts for
4 papers
Flexoelectric and piezoelectric coupling in a bended MoS monolayer
Hanna V. Shevliakova, Semen O. Yesylevskyy, Ihor Kupchak +3
Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied…
Giant excitonic absorption and emission in two-dimensional group-III nitrides
Maria Stella Prete, Davide Grassano, Olivia Pulci +3
Absorption and emission of pristine-like semiconducting monolayers of BN, AlN, GaN, and InN are here systematically studied by ab-initio methods. We calculate the absorption spectr…
Modeling of disordered materials: radial distribution function vs. vibrational spectra as a protocol for validation
F. Gaspari, I. M. Kupchak, A. I. Shkrebtii +1
As molecular dynamics is increasingly used to characterize non-crystalline materials, it is crucial to verify that the numerical model is accurate enough, consistent with experimen…
Temperature dependent vibrational spectra in non-crystalline materials: application to hydrogenated amorphous silicon
I. M. Kupchak, F. Gaspari, A. I. Shkrebtii +1
We present a novel approach for parameter-free modeling of the structural, dynamical and electronic properties of non-crystalline materials based on ab-initio Molecular Dynamics, i…