3 papers
cond-mat.mes-hall2025
Quantum Transport with Spin Orbit Coupling: New Developments in TranSIESTA
Nils Wittemeier, Nick Papior, Mads Brandbyge +2
We present the implementation of spinor quantum transport within the non-equilibrium Green's function (NEGF) code TranSIESTA based on Density Functional Theory (DFT). First-princip…
cond-mat.mtrl-sci2024
Roadmap on Quantum Magnetic Materials
Antonija GrubiÅ¡iÄ-Äabo, Marcos H. D. Guimarães, Dmytro Afanasiev +36
Fundamental research on two-dimensional (2D) magnetic systems based on van der Waals materials has been gaining traction rapidly since their recent discovery. With the increase of…
cond-mat.mes-hall2024
Excitonic response in TMD heterostructures from first-principles: impact of stacking, twisting, and interlayer distance
R. Reho, A. R. Botello-Méndez, D. Sangalli +2
Van der Waals heterostructures of two-dimensional transition metal dichalcogenides provide a unique platform to engineer optoelectronic devices tuning their optical properties via…