96 citations · 98 across the 3 of their papers we have counts for
6 papers
Spin-asymmetric graphene nanoribbons in graphane on silicon dioxide
M. Ijäs, P. Havu, A. Harju +1
Hydrogenated graphene, graphane, is studied on oxygen-terminated silicon dioxide substrate using ab initio calculations. A structure with hydrogenation only on one side of the grap…
Three real-space discretization techniques in electronic structure calculations
T. Torsti, T. Eirola, J. Enkovaara +13
A characteristic feature of the state-of-the-art of real-space methods in electronic structure calculations is the diversity of the techniques used in the discretization of the rel…
First principles electron transport: finite-element implementation for nanostructures
Paula Havu, Ville Havu, Martti J. Puska +3
We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demand…
Spin dependent electron transport through a magnetic resonant tunneling diode
Paula Havu, Noora Tuomisto, Riikka Vaananen +2
Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We c…
Electron transport through quantum wires and point contacts
Paula Havu, Martti Puska, Risto Nieminen +1
We have studied quantum wires using the Green's function technique and the density-functional theory, calculating the electronic structure and the conductance. All the numerics are…
Non-Equilibrium Electron Transport in Two-Dimensional Nano-Structures Modeled by Green's Functions and the Finite-Element Method
Paula Havu, Ville Havu, Martti Puska +1
We use the effective-mass approximation and the density-functional theory with the local-density approximation for modeling two-dimensional nano-structures connected phase-coherent…