"Electron transport in stacked and gated 2D nano-structures: Lessons from calculations"

"Electron transport in stacked and gated 2D nano-structures: Lessons from calculations"

Devices based on stacked van der Waals heterostructures of two-dimensional (2D) materials are promising candidates for future atomically thin, flexible electronics with properties that can be tuned by the electrostatic and dielectric environment. 

In this talk I will present examples where we employ first principles transport calculations based on Density Functional Theory (DFT), which explicitly include the electrostatic gate potential and induced carriers. DFT is combined self-consistently with non-equilibrium Greens functions (NEGF) to study the effects of finite bias in devices [1,2]. I will discuss what we can learn from the DFT-NEGF calculations about f.ex. the role of the gate position in stacked devices [3], resistance of metallic edge-contacts to graphene [4], how an intrinsic, vertical dipole may be engineered and utilized in stacks involving the so-called Janus-type di-chalcogenides, among other topics.


[1] N. Papior, T. Gunst, D. Stradi, M. Brandbyge, Phys. Chem. Chem. Phys., 18, 1025 (2016).

[2] M. Brandbyge, J-L. Mozos, P. Ordejon, J. Taylor, K. Stokbro, Phys. Rev. B 65, 165401 (2002); 

N. R. Papior, N. Lorente, T. Frederiksen, A. Garcia, M. Brandbyge, Comp. Phys. Comm., 212, 8, (2017).

[3] D. Stradi, N. R. Papior, O. Hansen, M. Brandbyge, Nano Lett. 17, 2660 (2017).

[4] B. Kretz, C. S. Pedersen, D. Stradi, M. Brandbyge, A. Garcia-Lekue, Phys. Rev. Appl. 10, 024016 (2018).

Participante: Mads Brandbyge

Institución: Technical University of Denmark (DTU)

Fecha y hora: Este evento terminó el Miércoles, 07 de Noviembre de 2018