activity
20122023
most citedSIESTA: recent developments and applications

544 citations · 1.2k across the 17 of their papers we have counts for

collaborators

17 papers

physics.chem-ph2023

A Nanocar and Rotor in One Molecule

K. H. Au-Yeung, S. Sarkar, T. Kühne +7

Depending on its adsorption conformation on the Au(111) surface, a zwitterionic single-molecule machine works in two different ways under bias voltage pulses. It is a unidirectiona…

cond-mat.mes-hall2022★ 12 cited

Bipolar single-molecule electroluminescence and electrofluorochromism

Tzu-Chao Hung, Roberto Robles, Brian Kiraly +5

Understanding the fundamental mechanisms of optoelectronic excitation and relaxation pathways on the single-molecule level has only recently been started by combining scanning tunn…

cond-mat.mtrl-sci2022★ 41 cited

Electron paramagnetic resonance of alkali metal atoms and dimers on ultrathin MgO

Stepan Kovarik, Roberto Robles, Richard Schlitz +4

Electron paramagnetic resonance (EPR) can provide unique insight into the chemical structure and magnetic properties of dopants in oxide and semiconducting materials that are of in…

cond-mat.mes-hall2020

Molecular templates of spin textures on superconducting surfaces

Cristina Mier, Benjamin Verlhac, Léo Garnier +4

We create ordered islands of magnetically anisotropic nickelocene molecules on a Pb (111) substrate. By using inelastic electron tunneling spectra (IETS) and density functional the…

physics.comp-ph2020★ 544 cited

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…

cond-mat.mtrl-sci2020★ 17 cited

A Molecular Approach for Engineering Interfacial Interactions in Magnetic-Topological Insulator Heterostructures

Marc G. Cuxart, Miguel Angel Valbuena, Roberto Robles +13

Controlling interfacial interactions in magnetic/topological insulator heterostructures is a major challenge for the emergence of novel spin-dependent electronic phenomena. As for…