Arantzazu Garcia Lekue

Ikerbasque Research Professor, DIPC - Donostia International Physics Center

Ikerbasque Research Professor at DIPC - Donostia International Physics Center.

Research line:

Modeling electron transport at the nanoscale; Theoretical investigation of electron processes at nanostructured surfaces.

Postdoctoral researcher (2003 - 2004) at the Surface Science Research Center (SSRC) of the University of Liverpool (UK), Physicist Postdoctoral Fellow (2005 - 2006) at the Computational Research - Division of the Lawrence Berkeley National Laboratory (US), Fellow Gipuzkoa (postdoctoral researcher) (2007 - 2012), at Donostia International Physics Center (DIPC).

Doctor in Physical Sciences (2003) from the University of the Basque Country UPV/EHU.

Publicaciones
Congresos y Proceedings

2024

Article / Kondo Effect of Co-Porphyrin: Remarkable Sensitivity to Adsorption Sites and Orientations

Nano Letters

Meng, X.; Möller, J.; Menchón, R.E.; Weismann, A.; Sánchez-Portal, D.; Garcia-Lekue, A.; Herges, R.; Berndt, R.

Article / Deceptive orbital confinement at edges and pores of carbon-based 1D and 2D nanoarchitectures

Nature Communications

Piquero-Zulaica, I.; Corral-Rascón, E.; Diaz de Cerio, X.; Riss, A.; Yang, B.; Garcia-Lekue, A.; Kher-Elden, M.A.; Abd El-Fattah, Z.M.; Nobusue, S.; Kojima, T.; Seufert, K.; Sakaguchi, H.; Auwärter, W.; Barth, J.V.

Article / Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene

Chemical Science

Ugartemendia, A.; Casademont-Reig, I.; Zhao, L.; Zhang, Z.; Frenking, G.; Ugalde, J.M.; Garcia-Lekue, A.; Jimenez-Izal, E.

Article / On-surface synthesis of porous graphene nanoribbons mediated by phenyl migration

Communications Chemistry

Moreno, C.; Diaz de Cerio, X.; Tenorio, M.; Gao, F.; Vilas-Varela, M.; Sarasola, A.; Peña, D.; Garcia-Lekue, A.; Mugarza, A.

2023

Article / Tunable spin and conductance in porphyrin-graphene nanoribbon hybrids

Communications Physics

Gao, F.; Menchón, R.E.; Garcia-Lekue, A.; Brandbyge, M.

Article / Molecular Bridge Engineering for Tuning Quantum Electronic Transport and Anisotropy in Nanoporous Graphene

Journal of the American Chemical Society

Moreno, C.; Diaz de Cerio, X.; Vilas-Varela, M.; Tenorio, M.; Sarasola, A.; Brandbyge, M.; Peña, D.; Garcia-Lekue, A.; Mugarza, A.

Article / Controlling the Spin States of FeTBrPP on Au(111)

ACS Nano

Meng, X.; Möller, J.; Mansouri, M.; Sánchez-Portal, D.; Garcia-Lekue, A.; Weismann, A.; Li, C.; Herges, R.; Berndt, R.

Article / B and N substitutional co-doping in 7AGNRs

Electronic Structure

Menchón, R.E.; Delgado-Enales, I.; Sánchez-Portal, D.; Garcia-Lekue, A.

2022

Article / Tailoring magnetism in silicon-doped zigzag graphene edges

Sci. Rep.

Andoni Ugartemendia, Aran Garcia-Lekue, Elisa Jimenez-Izal

Article / Addressing Electron Spins Embedded in Metallic Graphene Nanoribbons

ACS Nano

Friedrich, N.; Menchón, R.E.; Pozo, I.; Hieulle, J.; Vegliante, A.; Li, J.; Sánchez-Portal, D.; Peña, D.; Garcia-Lekue, A.; Pascual, J.I.

2021

Article / Topological phase transition in chiral graphene nanoribbons: from edge bands to end states

Nature Communications

Li, J.; Sanz, S.; Merino-Díez, N.; Vilas-Varela, M.; Garcia-Lekue, A.; Corso, M.; de Oteyza, D.G.; Frederiksen, T.; Peña, D.; Pascual, J.I.

Article / Band structure and energy level alignment of chiral graphene nanoribbons on silver surfaces

Nanomaterials

Corso, M.; Menchón, R.E.; Piquero-Zulaica, I.; Vilas-Varela, M.; Enrique Ortega, J.; Peña, D.; Garcia-Lekue, A.; de Oteyza, D.G.

Article / Unraveling the electronic properties of graphene with substitutional oxygen

2D Materials

Mackenzie, D.M.A.; Galbiati, M.; De Cerio, X.D.; Sahalianov, I.Y.; Radchenko, T.M.; Sun, J.; Pena, D.; Gammelgaard, L.; Jessen, B.S.; Thomsen, J.D.; Bøggild, P.; Garcia-Lekue, A.; Camilli, L.; Caridad, J.M.

2020

Article / Magnetism of Topological Boundary States Induced by Boron Substitution in Graphene Nanoribbons

Physical Review Letters

Friedrich, N.; Brandimarte, P.; Li, J.; Saito, S.; Yamaguchi, S.; Pozo, I.; Penã, D.; Frederiksen, T.; Garcia-Lekue, A.; Sánchez-Portal, D.; Pascual, J.I.

Article / Rotation of Ethoxy and Ethyl Moieties on a Molecular Platform on Au(111)

ACS Nano

Jasper-Toennies, T.; Gruber, M.; Johannsen, S.; Frederiksen, T.; Garcia-Lekue, A.; Jak, T.; Roehricht, F.; Herges, R.; Berndt, R.

Article / On-Surface Synthesis of Chlorinated Narrow Graphene Nanoribbon Organometallic Hybrids

Journal of Physical Chemistry Letters

Zuzak, R.; Brandimarte, P.; Olszowski, P.; Izydorczyk, I.; Markoulides, M.; Such, B.; Kolmer, M.; Szymonski, M.; Garcia-Lekue, A.; Sánchez-Portal, D.; Gourdon, A.; Godlewski, S.

Article / Band Depopulation of Graphene Nanoribbons Induced by Chemical Gating with Amino Groups

ACS Nano

Li, J.; Brandimarte, P.; Vilas-Varela, M.; Merino-Díez, N.; Moreno, C.; Mugarza, A.; Mollejo, J.S.; Sánchez-Portal, D.; Garcia De Oteyza, D.; Corso, M.; Garcia-Lekue, A.; Peña, D.; Pascual, J.I.

Article / Stabilizing Edge Fluorination in Graphene Nanoribbons

ACS Nano

Panighel, M.; Quiroga, S.; Brandimarte, P.; Moreno, C.; Garcia-Lekue, A.; Vilas-Varela, M.; Rey, D.; Sauthier, G.; Ceballos, G.; Peña, D.; Mugarza, A.

Article / Quantum Dots Embedded in Graphene Nanoribbons by Chemical Substitution

Nano Letters

Carbonell-Sanromà, E.; Brandimarte, P.; Balog, R.; Corso, M.; Kawai, S.; Garcia-Lekue, A.; Saito, S.; Yamaguchi, S.; Meyer, E.; Sánchez-Portal, D.; Pascual, J.I.

2019

Article / Electronic transport in planar atomic-scale structures measured by two-probe scanning tunneling spectroscopy

Nature Communications

Kolmer, M.; Brandimarte, P.; Lis, J.; Zuzak, R.; Godlewski, S.; Kawai, H.; Garcia-Lekue, A.; Lorente, N.; Frederiksen, T.; Joachim, C.; Sanchez-Portal, D.; Szymonski, M.

Article / Conductance channels of a platform molecule on Au(111) probed with shot noise

Physical Review B

Mohr, M.; Jasper-Toennies, T.; Weismann, A.; Frederiksen, T.; Garcia-Lekue, A.; Ulrich, S.; Herges, R.; Berndt, R.

Article / Electron Transport in Nanoporous Graphene: Probing the Talbot Effect

Nano Letters

Calogero, G.; Papior, N.R.; Kretz, B.; Garcia-Lekue, A.; Frederiksen, T.; Brandbyge, M.

Article / High-conductance contacts to functionalized molecular platforms physisorbed on Au(1 1 1)

Journal of Physics Condensed Matter

Jasper-Tönnies, T.; Garcia-Lekue, A.; Frederiksen, T.; Ulrich, S.; Herges, R.; Berndt, R.

Article / Synthesis and reactivity of a trigonal porous nanographene on a gold surface

Chemical Science

Zuzak, R.; Pozo, I.; Engelund, M.; Garcia-Lekue, A.; Vilas-Varela, M.; Alonso, J.M.; Szymonski, M.; Guitián, E.; Pérez, D.; Godlewski, S.; Peña, D.

2018

Article / Orbital-selective spin excitation of a magnetic porphyrin

Communications Physics

Rubio-Verdú, C.; Sarasola, A.; Choi, D.J.; Majzik, Z.; Ebeling, R.; Calvo, M.R.; Ugeda, M.M.; Garcia-Lekue, A.; Sánchez-Portal, D.; Pascual, J.I.

Article / Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts

Physical Review Applied

Kretz, B.; Pedersen, C.S.; Stradi, D.; Brandbyge, M.; Garcia-Lekue, A.

Article / Electronic Properties of Substitutionally Boron-Doped Graphene Nanoribbons on a Au(111) Surface

Journal of Physical Chemistry C

Carbonell-Sanromà, E.; Garcia-Lekue, A.; Corso, M.; Vasseur, G.; Brandimarte, P.; Lobo-Checa, J.; De Oteyza, D.G.; Li, J.; Kawai, S.; Saito, S.; Yamaguchi, S.; Ortega, J.E.; Sánchez-Portal, D.; Pascual, J.I.

Article / Switching from Reactant to Substrate Engineering in the Selective Synthesis of Graphene Nanoribbons

Journal of Physical Chemistry Letters

Merino-Díez, N.; Lobo-Checa, J.; Nita, P.; Garcia-Lekue, A.; Basagni, A.; Vasseur, G.; Tiso, F.; Sedona, F.; Das, P.K.; Fujii, J.; Vobornik, I.; Sambi, M.; Pascual, J.I.; Ortega, J.E.; De Oteyza, D.G.

Article / Bottom-up synthesis of multifunctional nanoporous graphene

Science

Moreno, C.; Vilas-Varela, M.; Kretz, B.; Garcia-Lekue, A.; Costache, M.V.; Paradinas, M.; Panighel, M.; Ceballos, G.; Valenzuela, S.O.; Peña, D.; Mugarza, A.

Article / On-Surface Route for Producing Planar Nanographenes with Azulene Moieties

Nano Letters

Hieulle, J.; Carbonell-Sanromà, E.; Vilas-Varela, M.; Garcia-Lekue, A.; Guitián, E.; Peña, D.; Pascual, J.I.

Article / Unraveling the Electronic Structure of Narrow Atomically Precise Chiral Graphene Nanoribbons

Journal of Physical Chemistry Letters

Merino-Díez, N.; Li, J.; Garcia-Lekue, A.; Vasseur, G.; Vilas-Varela, M.; Carbonell-Sanromà, E.; Corso, M.; Ortega, J.E.; Peña, D.; Pascual, J.I.; De Oteyza, D.G.

Article / Electronic Structure Tunability by Periodic meta-Ligand Spacing in One-Dimensional Organic Semiconductors

ACS Nano

Piquero-Zulaica, I.; Garcia-Lekue, A.; Colazzo, L.; Krug, C.K.; Mohammed, M.S.G.; Abd El-Fattah, Z.M.; Gottfried, J.M.; de Oteyza, D.G.; Ortega, J.E.; Lobo-Checa, J.

2017

Article / Submolecular Resolution by Variation of the Inelastic Electron Tunneling Spectroscopy Amplitude and its Relation to the AFM/STM Signal

Physical Review Letters

De La Torre, B.; Švec, M.; Foti, G.; Krejčí, O.; Hapala, P.; Garcia-Lekue, A.; Frederiksen, T.; Zbořil, R.; Arnau, A.; Vázquez, H.; Jelínek, P.

Article / Conductance of a Freestanding Conjugated Molecular Wire

Physical Review Letters

Jasper-Tönnies, T.; Garcia-Lekue, A.; Frederiksen, T.; Ulrich, S.; Herges, R.; Berndt, R.

Article / A tunable electronic beam splitter realized with crossed graphene nanoribbons

Journal of Chemical Physics

Brandimarte, P.; Engelund, M.; Papior, N.; Garcia-Lekue, A.; Frederiksen, T.; Sánchez-Portal, D.

Article / Theoretical Insights into Unexpected Molecular Core Level Shifts: Chemical and Surface Effects

Journal of Physical Chemistry Letters

Sarasola, A.; Abadía, M.; Rogero, C.; Garcia-Lekue, A.

Article / Width-Dependent Band Gap in Armchair Graphene Nanoribbons Reveals Fermi Level Pinning on Au(111)

ACS Nano

Merino-Díez, N.; Garcia-Lekue, A.; Carbonell-Sanromà, E.; Li, J.; Corso, M.; Colazzo, L.; Sedona, F.; Sánchez-Portal, D.; Pascual, J.I.; De Oteyza, D.G.

Article / Chemical Disorder in Topological Insulators: A Route to Magnetism Tolerant Topological Surface States

Nano Letters

Martínez-Velarte, M.C.; Kretz, B.; Moro-Lagares, M.; Aguirre, M.H.; Riedemann, T.M.; Lograsso, T.A.; Morellón, L.; Ibarra, M.R.; Garcia-Lekue, A.; Serrate, D.

Article / Symmetry forbidden morphologies and domain boundaries in nanoscale graphene islands

2D Materials

Parreiras, S.O.; Gastaldo, M.; Moreno, C.; Martins, M.D.; Garcia-Lekue, A.; Ceballos, G.; Paniago, R.; Mugarza, A.

2016

Article / Search for a metallic dangling-bond wire on n-doped H-passivated semiconductor surfaces

Journal of Physical Chemistry C

Engelund, M.; Papior, N.; Brandimarte, P.; Frederiksen, T.; Garcia-Lekue, A.; Sánchez-Portal, D.

Article / Substrate-Independent Growth of Atomically Precise Chiral Graphene Nanoribbons

ACS Nano

De Oteyza, D.G.; García-Lekue, A.; Vilas-Varela, M.; Merino-Díez, N.; Carbonell-Sanromà, E.; Corso, M.; Vasseur, G.; Rogero, C.; Guitián, E.; Pascual, J.I.; Ortega, J.E.; Wakayama, Y.; Peña, D.

Article / π band dispersion along conjugated organic nanowires synthesized on a metal oxide semiconductor

Journal of the American Chemical Society

Vasseur, G.; Abadia, M.; Miccio, L.A.; Brede, J.; Garcia-Lekue, A.; De Oteyza, D.G.; Rogero, C.; Lobo-Checa, J.; Ortega, J.E.

Article / Interaction of a conjugated polyaromatic molecule with a single dangling bond quantum dot on a hydrogenated semiconductor

Physical Chemistry Chemical Physics

Godlewski, S.; Kolmer, M.; Engelund, M.; Kawai, H.; Zuzak, R.; Garcia-Lekue, A.; Saeys, M.; Echavarren, A.M.; Joachim, C.; Sanchez-Portal, D.; Szymonski, M.

Article / Diels-Alder attachment of a planar organic molecule to a dangling bond dimer on a hydrogenated semiconductor surface

Physical Chemistry Chemical Physics

Godlewski, S.; Kawai, H.; Engelund, M.; Kolmer, M.; Zuzak, R.; Garcia-Lekue, A.; Novell-Leruth, G.; Echavarren, A.M.; Sanchez-Portal, D.; Joachim, C.; Saeys, M.

2015

Article / Tunneling spectroscopy of close-spaced dangling-bond pairs in Si(001):H

Scientific Reports

Engelund, M.; Zuzak, R.; Godlewski, S.; Kolmer, M.; Frederiksen, T.; García-Lekue, A.; Sánchez-Portal, D.; Szymonski, M.

Article / Substrate-induced stabilization and reconstruction of zigzag edges in graphene nanoislands on Ni(111)

Journal of Physical Chemistry C

Garcia-Lekue, A.; Ollé, M.; Sanchez-Portal, D.; Palacios, J.J.; Mugarza, A.; Ceballos, G.; Gambardella, P.

Review / Ab initio quantum transport calculations using plane waves

Progress in Surface Science

Garcia-Lekue, A.; Vergniory, M.G.; Jiang, X.W.; Wang, L.W.

2014

Article / Massive surface reshaping mediated by metal-organic complexes

Journal of Physical Chemistry C

Abadía, M.; González-Moreno, R.; Sarasola, A.; Otero-Irurueta, G.; Verdini, A.; Floreano, L.; Garcia-Lekue, A.; Rogero, C.

Article / Spin-dependent electron scattering at graphene edges on Ni(111)

Physical Review Letters

Garcia-Lekue, A.; Balashov, T.; Olle, M.; Ceballos, G.; Arnau, A.; Gambardella, P.; Sanchez-Portal, D.; Mugarza, A.

2013

Article / Plane-wave based electron tunneling through field emission resonance states

Physical Review B - Condensed Matter and Materials Physics

Garcia-Lekue, A.; Sánchez-Portal, D.; Arnau, A.; Wang, L.W.

Article / Exploring large O 1s and N 1s core level shifts due to intermolecular hydrogen bond formation in organic molecules

Surface Science

Garcia-Gil, S.; Arnau, A.; Garcia-Lekue, A.

Article / Role of the anchored groups in the bonding and self-organization of macrocycles: Carboxylic versus pyrrole groups

Journal of Physical Chemistry C

González-Moreno, R.; Garcia-Lekue, A.; Arnau, A.; Trelka, M.; Gallego, J.M.; Otero, R.; Verdini, A.; Sánchez-Sánchez, C.; De Andrés, P.L.; Martín-Gago, J.A.; Rogero, C.

2012

Article / Charge transport in azobenzene-based single-molecule junctions

Physical Review Letters

Kim, Y.; Garcia-Lekue, A.; Sysoiev, D.; Frederiksen, T.; Groth, U.; Scheer, E.

2023

Invited talk | Emerging Functionalities of Carbon-Based 1D and 2D Nanoarchitectures

MRS Fall Meeting 2023 - Invited talk

Aran Garcia-Lekue

2022

Conference organization | "Physics in 2D nanoarchitectonics" mini-colloquium

CMD29 - Conference organization

Cesar Moreno, Rasmita Raval, Aitor Mugarza, Aran Garcia-Lekue

Invited talk | Towards controlling electronic anisotropy in nanoporous graphene

2DSPM - Invited talk

Aran Garcia-Lekue

Invited talk | Addressing magnetic and topological properties of graphene nanoribbons

EuChemS2022 - Invited talk

Aran Garcia-Lekue

Invited talk | Addressing magnetic and topological properties of graphene nanoribbons

60th Workshop on Nanoscale Phenomena at Surfaces - Invited talk

Aran Garcia-Lekue

Invited talk | Addressing magnetic and topological properties of graphene nanoribbons

NanotechFrance - Invited talk

Aran Garcia-Lekue

Invited talk | Computational design of graphene nanoribbons with tunable topology

OSS22 - Invited talk

Aran Garcia-Lekue

2021

Invited talk | Carbon-based nanoelectronics: insights from calculations

NanoSpain 2020 (postponed due to COVID-19) - Invited talk

A. Garcia-Lekue

Invited talk | Hierarchical graphene nanoarchitectonics

2DSPM - Conference on Novel 2D Materials (postponed due to COVID-19) - Invited talk

A. Garcia-Lekue

Invited talk | Towards engineering topology in graphene nanoribbons

METANANO 2021 - Invited talk

A. Garcia-Lekue

Invited talk | Graphene nanoribbons: insights from theory and experiments

Nanospain - Imaginenano 2021 - Invited talk

A. Garcia-Lekue

2020

Conference organization | Total Energy and Force Workshop 2020

Total Energy and Force Workshop 2020 - Conference organization

A. Garcia-Lekue, I. Errea, I. Souza

Conference organization | "Physics in 2D Nanoarchitectures" mini-colloquium

CMD2020GEFES (held online due to COVID-19) - Conference organization

A. Garcia-Lekue, C. Moreno, M. Brandbyge, A. Mugarza

Invited talk | Carbon-based nanoarchitectonics

METANANO 2020 (held online due to COVID-19) - Invited talk

A. Garcia-Lekue

Invited talk | Graphene nanoarchitectures: insights from theory and experiments

Invited seminar (online) - Invited talk

A. Garcia-Lekue

2019

Invited talk | Atomistic insight into the electronic properties of graphene nanostructures

SP2 Workshop 2019 - Invited talk

A. Garcia-Lekue

Invited talk | Graphene nanoarchitectures: insights from theory and experiments

Trends in Nanotechnology (TNT) 2019 - Invited talk

A. Garcia-Lekue

Invited talk | 2D carbon-based nanoelectronics

2D Materials 2019 - Invited talk

A. Garcia-Lekue

Invited talk | Towards electronic devices using novel carbon nanostructures

DIPC-MIPT Workshop - Invited talk

A. Garcia-Lekue

Invited talk | Functional carbon nanostructures: insights from density functional-theory

704. WE-Heraeus-Seminar - Invited talk

A. Garcia-Lekue

2018

Invited talk | Novel Electronic States in Graphene Nanostructures

Imaginenano 2018 (NanoSpain) - Invited talk

A. Garcia-Lekue

2017

Conference organization | European Conference on Surface Crystallography and Dynamics - ECSCD13

European Conference on Surface Crystallography and Dynamics - ECSCD13 - Conference organization

A. Garcia-Lekue

Conference organization | Ikergazte 2017

Ikergazte 2017 - Conference organization

A. Garcia-Lekue

2016

Conference organization | Towards Reality in Modelling Molecular Electronics - TRMME

Towards Reality in Modelling Molecular Electronics - TRMME - Conference organization

A. Garcia-Lekue

2015

Conference organization | Vibration at Surfaces - VAS15

Vibration at Surfaces - VAS15, Donostia - Conference organization

A. Garcia-Lekue

Conference organization | IKERGAZTE

IKERGAZTE - Conference organization

A. Garcia-Lekue

Conference organization | Workshop on Theory for Planar Molecular and Atomic Scale Devices

Workshop on Theory for Planar Molecular and Atomic Scale Devices - Conference organization

A. Garcia-Lekue

Invited talk | Structural, electronic and transport properties of graphene nanostructures

MANA-DIPC Workshop on Nanostructures and Complex Functional Materials - Invited talk

A. Garcia-Lekue

2014

Invited talk | Graphene Nanoislands on Ni(111): structural and scattering properties

Graphene 2014 - Invited talk

A. Garcia-Lekue

2013

Invited talk | Azobenzene-Based Single-Molecule Junctions: Charge Transport Mechanism and IETS Fingerprints

Controlled Atomic Dynamics on Solid Surfaces: Atom and Molecular Manipulation - Invited talk

A. Garcia-Lekue, Y. Kim, D. Sysoiev, T. Frederiksen, U. Groth, E. Scheer