Publications: Extended systems: solids, surfaces, liquids. Applications (e.g photovoltaics)


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These papers are ordered by article relevance.

Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials
Hannes Hübener, Michael A. Sentef, Umberto De Giovannini, Alexander F. Kemper, Angel Rubio
Nature Communications 8, 13940 (2017)
Impact of the electronic band structure in high-harmonic generation spectra of solids
Nicolas Tancogne-Dejean, Oliver D. Mücke, Franz X. Kärtner, Angel Rubio
Physical Review Letters 118, 087403 (2017)
A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
Umberto De Giovannini, Hannes Hübener, Angel Rubio
Journal Of Chemical Theory And Computation 13 (1), 265 - 273 (2017)
Covalent modification of highly ordered pyrolytic graphite with a stable organic free radical using diazonium chemistry
Gonca Seber, Alexander V. Rudnev, Andrea Droghetti, Ivan Rungger, Jaume Veciana, Marta Mas-Torrent, Concepcio Rovira, Nuria Crivillers
Chemistry-A European Journal 23, 1415 (2017)
Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
Andrea Droghetti, Ivan Rungger
Physical Review B 95, 085131 (2017)
Towards the next generation of Thermoelectric Materials: tailoring electronic and phononic properties of nanomaterials
Olga Caballero-Calero, Roberto D'Agosta
6, N3065 - N3079 (2017)
Dynamic spin-filtering at the Co/Alq3 interface mediated by weakly coupled second layer Alq3 molecules
Andrea Droghetti, Philip Thielen, Ivan Rungger, Norman Haag, Nicolas Großmann, Johannes Stöckl, Benjamin Stadtmüller, Martin Aeschlimann, Stefano Sanvito, Mirko Cinchetti
Nature Communications 7, 12668 (2016)
Fundamentals of ultrafast laser–material interaction
Maxim V. Shugaev, Chengping Wu, Oskar Armbruster, Aida Naghilou, Nils Brouwer, Dmitry S. Ivanov, Thibault J.-Y. Derrien, Nadezhda M. Bulgakova, Wolfgang Kautek, Baerbel Rethfeld, Leonid V. Zhigilei
MRS Bulletin 41, 960 - 968 (2016)
Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties
Joshua O. Island, Robert Biele, Mariam Barawi, José M. Clamagirand, José R. Ares, Carlos Sánchez, Herre S.J. van der Zant, Isabel J. Ferrer, Roberto D'Agosta, Andres Castellanos-Gomez
Scientific Reports 6, 22214 (2016)
Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110)
Duncan John Mowbray, Annapaola Migani
Journal Of Chemical Theory And Computation 12, 2843 - 2852 (2016)
Negative plasmon dispersion in 2H-NbS2 beyond charge-density-wave interpretation
Pierluigi Cudazzo, Eric Múller, Carsten Habenicht, Matteo Gatti, Helmuth Berger, Martin Knupfer,Angel Rubio, Simo Huotari
New Journal Of Physics 18, 103050 (2016)
Bilayer SnS2: Easy-tunable Stacking Sequence by Charging and Loading Pressure
C. Bacaksiz,S. Cahangirov,A. Rubio,R. T. Senger, F. M. Peeters, H. Sahin
Physical Review B 93, 125403 (2016)
Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization
Marco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio,, Matthias Scheffler
Physical Review B 93, 075153 (2016)
Fundamental gap of molecular crystals via constrained Density Functional Theory
Andrea Droghetti, Ivan Rungger, Chaitanya Das Pemmaraju, Stefano Sanvito
Physical Review B 93, 195208 (2016)
Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride
Irina V. Lebedeva,  Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Physical Review B 93, 235414 (2016)