544 citations · 626 across the 5 of their papers we have counts for
5 papers
From Solution to Surface: Persistence of the Diradical Character of a Diindenoanthracene Derivative on a Metallic Substrate
Jeremy Hieulle, Carlos Garcia Fernandez, Niklas Friedrich +7
Organic diradicals are envisioned as elementary building blocks for designing a new generation of spintronic devices and have been used in constructing prototypical field effect tr…
SIESTA: recent developments and applications
Alberto García, Nick Papior, Arsalan Akhtar +33
A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-nineties, SIESTA's flexibility, efficiency and…
Orbital-selective spin excitation of a magnetic porphyrin
Carmen Rubio-Verdú, Ane Sarasola, Deung-Jang Choi +7
Scattering of electrons by localized spins is the ultimate process enabling electrical detection and control of the magnetic state of a spin-doped material. At the molecular scale,…
Charge transfer states at the interface of the pentacene monolayer on TiO and their influence on the optical spectrum
M. P. Ljungberg, O. Vänskä, P. Koval +3
The full monolayer of pentacene adsorbed on rutile TiO(110) provides an intriguing model to study charge-transfer excitations where the optically excited electrons and holes re…
Search for a Metallic Dangling-Bond Wire on -doped H-passivated Semiconductor Surfaces
Mads Engelund, Nick Papior, Pedro Brandimarte +3
We have theoretically investigated the electronic properties of neutral and -doped dangling bond (DB) quasi-one-dimensional structures (lines) in the Si(001):H and Ge(001):H sub…