Browsing Photonics / Fotonik by Subject "Density Functional Theory"
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Bilayers of Janus WSSe: Monitoring the stacking type: Via the vibrational spectrum
(Royal Society of Chemistry, 2018)Motivated by the recent successful synthesis of Janus type single layers of transition metal dichalcogenides, we investigate the stability, vibrational and electronic properties of the Janus single layer structure of WSSe ... -
Tuning electronic and magnetic properties of monolayer α-RuCl3 by in-plane strain
(Royal Society of Chemistry, 2018)By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer α-RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antife ...
