33 citations · 36 across the 6 of their papers we have counts for
7 papers
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…
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…
Density functional Bogoliubov-de Gennes theory for superconductors implemented in the SIESTA code
R. Reho, N. Wittemeier, A. H. Kole +2
We present SIESTA-BdG, an implementation of the simultaneous solution of the Bogoliubov-de Gennes (BdG) and Density Functional Theory (DFT) problem in SIESTA, a first-principles me…
Tuning the Topological Band Gap of Bismuthene with Silicon-based Substrate
Nils Wittemeier, Pablo Ordejón, Zeila Zanolli
Some meta-stable polymorphs of bismuth monolayer (bismuthene) can host topologically nontrivial phases. However, it remains unclear if these polymorphs can become stable through in…
Interference effects in one-dimensional moiré crystals
Nils Wittemeier, Matthieu J. Verstraete, Pablo Ordejón +1
Interference effects in finite sections of one-dimensional moiré crystals are investigated using a Landauer-Büttiker formalism within the tight-binding approximation. We explain in…
Independent and coherent transitions between antiferromagnetic states of few-molecule systems
Claire Besson, Philipp Stegmann, Michael Schnee +12
Spin-electronic devices are poised to become part of mainstream microelectronic technology .Downsizing them, however, faces the intrinsic difficulty that as ferromagnets become sma…
Manipulation of Spin Transport in Graphene/Transition Metal Dichalcogenide Heterobilayers upon Twisting
Armando Pezo, Zeila Zanolli, Nils Wittemeier +4
Proximity effects are one of the pillars of exotic phenomena and technological applications of two dimensional materials. However, the interactions nature depends strongly on the m…