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cond-mat.supr-con2025
The crucial role of substrate in FeSe/STO: new insights to interface-driven superconductivity from first-principles
Riccardo Reho, Arnold H. Kole, Nils Wittemeier +2
We investigate the superconducting properties of monolayer FeSe, both freestanding (ML FeSe) and on SrTiO (STO), by simultaneously solving the Kohn-Sham Density Functional Theo…
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…