Publications complete


EUSpec publications 2018

Mechanical properties of the quasi-one-dimensional antiferromagnet Cu(en)(H 2O) 2SO4
D. Legut, R. Sýkora, U. D. Wdowik, A. Orendcovác
J. Nanosci. Nanotech (2018), in press

Species formed during NO adsorption and NO+O2 co-adsorption on ceria: A combined FTIR and DFT study
M. Y. Mihaylov, E. Z. Ivanova, H. A. Aleksandrov, P. St. Petkov, G. N. Vayssilov, K. I. Hadjiivanov
Journal of Molecular Catalysis. A, Chemical, 2018, in press
Magnetic Compton profiles of disordered Fe0.5Ni0.5 and ordered FeNi alloys
D. Benea, J. Minár, H. Ebert, L. Chioncel
Phys. Rev. B 97, 144408 (2018)
Electron transmission through a steel capillary
J. B. Maljkovic, D. Borka, M. L. Rankovic, B. P. Marinkovic, A. R. Milosavljevic, C. Lemell, T. Károly
Nucl. Instrum. Meth. B 423, 87-91 (2018)
Analytical modeling of electron energy loss spectroscopy of graphene: Ab initio study versus extended hydrodynamic model
T. Djordjevi, I. Radovia, V. Despoja, K. Lyon, D. Borka, Z. L. Miškov
Ultramicroscopy 184, 142 (2018)
Determination of the ground state of an Au-supported FePc film based on the interpretation of Fe K- and L-edge x-ray magnetic circular dichroism measurements
C. R. Natoli, P. Krüger, J. Bartolomé, F. Bartolo
Phys. Rev. B 97, 155139 (2018)
Absolute determination of optical constants of three transition metals using reflection electron energy loss spectroscopy
H. Xu, L. H. Yang, J. Toth, K. Tokesi, B. Da, Z. J. Ding
J. Appl. Phys. 123, 043306 (2018)
1s2p Resonant Inelastic X-ray Scattering Magnetic Circular Dichroism as a probe for the local and non-local orbitals in CrO2
P. Zimmermann, N. Bouldi, M. O. J. Y. Hunault, M. Sikora, J. M. Ablett,J. P. Rueff, B. Lebert, P. Sainctavit, F. M. F. de Groot, A. Juhin
Journal of Electron Spectroscopy and Related Phenomena 222, 74-87 (2018)
Scaling behavior of the Compton profile of alkali metals
M. Sekania, W. H. Appelt, D. Benea, H. Ebert, D. Vollhardt, L. Chioncel
Physica A-Stat. Mech. Appl. 489, 18-27(2018)
Theory of L-edge spectroscopy of strongly correlated systems
J. Lüder, J. Schött, B. Brena, M. W. Haverkort, P. Thunström, O. Eriksson, B. Sanyal, I. Di Marco, Y. O. Kvashnin
Phys. Rev. B 96, 245131 (2017)

EUSpec publications 2017

Optical properties of titanium oxide films obtained by cathodic arc plasma deposition
V. Jokanovic, B. Colovic, A. T. Petkoska, A. Mrakovic, B. Jokanovic, M. Nenadovic, M. Ferrara, I. Nasov
Plasma Science and Technology 19, 125504 (2017)
Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties
L. D. Xian, A. P. Paz, E. Bianco, P. M. Ajayan, A. Rubio
2D Materials 4, 041003 (2017)
Iron oxide nanoparticles - In vivo/in vitro biomedical applications and in silico studies
M. Nedyalkova, B. Donkova, J. Romanova, G. Tzvetkov, S. Madurga, V. Simeonov
Advances in Colloid and Interface Science 249, 192-212 (2017)
Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence
S. P. Rittmeyer, J. Meyer, K. Reuter
Phys. Rev. Lett. 119, 176808 (2017)
Structural transformations and adsorption properties of PtNi nanoalloy thin film electrocatalysts prepared by magnetron co-sputtering
O. Brummel, F. Waidhas, I. Khalakhan, M. Vorokhta, M. Dubau, G. Kovacs, H. A. Aleksandrov, K. M. Neyman, V. Matolin, J. Libuda
Electrochimica Acta 251, 427-441 (2017)
Ballistic spin transport in the presence of interfaces with strong spin-orbit coupling
J. Borge, I. V. Tokatly
Phys. Rev. B 96, 115445 (2017)
Local vs Nonlocal States in FeTiO3 Probed with 1s2pRIXS: Implications for Photochemistry
M. O. J. Y. Hunault, W. Khan, J. Minar (DE, MC Member, WG1 Leader), T. Kroll, D. Sokaras, P. Zimmermann, M. U. Delgado-Jaime, F. M. F. de Groot
Inorganic Chemistry 56, 10882-10892 (2017)
Synthesis, Modeling, and Catalytic Properties of HY Zeolite-Supported Rhodium Dinitrosyl Complexes
K. Khivantsev, A. Vityuk, H. A. Aleksandrov, G. N. Vayssilov, D. Blom, O. S. Alexeev, M. D. Amiridis
ACS Catalysis 7, 5965-5982 (2017)
Chemical Bond Modification upon Phase Transformation of TiO2 Nanoribbons Revealed by Nanoscale X-ray Linear Dichroism
P. Kruger, M. Sluban, P. Umek, P. Guttmann, C. Bittencourt
J. Phys. Chem. C 121, 17038-17042 (2017)
TDDFT-Based Study on the Proton-DNA Collision
R. Seraide, M. A. Bernal, G. Brunetto, U. de Giovannini, A. Rubio
J. Phys. Chem. B 121, 7276-7283 (2017)
Modeling Non-Equilibrium Dynamics and Saturable Absorption Induced by Free Electron Laser Radiation
K. Hatada, A. Di Cicco
Appl. Sci. 7, 814 (2017)
Raman scattering from single WS2 nanotubes in stretched PVDF electrospun fibers
O. Grinberg, S. W. Deng, E. Zussman, T. Livneh, A. Zak
Phys. Chem. Chem. Phys. 19, 18443-18451 (2017)
Optical properties of periodic systems within the current-current response framework: Pitfalls and remedies
D. Sangalli, J. A. Berger, C. Attaccalite, M. Grüning, P. Romaniello
Phys. Rev. B 95, 155203 (2017)
Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons
C. Attaccalite, E. Cannuccia, and M. Grüning
Phys. Rev. B 95, 125403 (2017)
Unraveling the spin structure of unoccupied states in Bi2Se3
C. Datzer, A. Zumbulte, J. Braun, T. Forster, A. B. Schmidt, J. L. Mi, B. Iversen, P. Hofmann, J. Minar, H. Ebert, P. Kruger, M. Rohlfing, M. Donath
Phys. Rev. B 95, 115401 (2017)
Anomalous anisotropic exciton temperature dependence in rutile TiO2
E. Baldini, A. Dominguez, L. Chiodo, E. Sheveleva, M. Yazdi-Rizi, C. Bernhard, A. Rubio, M. Chergui
Phys. Rev. B 96, 041204 (2017)
Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures
H. S. Sen, L. D. Xian, F. H. da Jornada, S. G. Louie, A. Rubio
Isr. J. Chem. 57, 540-546 (2017)
Strongly bound excitons in anatase TiO2 single crystals and nanoparticles
E. Baldini, L. Chiodo, A. Dominguez, M. Palummo, S. Moser, M. Yazdi-Rizi, G. Aubock, B. P. P. Mallett, H. Berger, A. Magrez, C. Bernhard, M. Grioni, A. Rubio, M. Chergui
Nature Communications 8, 13 (2017)
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
J. Flick, H. Appel, M. Ruggenthaler, A. Rubio
J. Chem. Theory Comput. 13, 1616-1625 (2017)
Dispersion and damping of the interband pi plasmon in graphene grown on Cu(111) foils
A. Politano, I. Radovic, D. Borka, Z. L. Miskovic, H. K. Yu, D. Farias, G.
Carbon 114, 70-76 (2017)
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
P. Wopperer, U. De Giovannini, A. Rubio
Eur. Phys. J. B 90, 51 (2017)
Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids
N. Tancogne-Dejean, O. D. Mucke, F. X. Kartner, A. Rubio
Phys. Rev. Lett. 118, 087403 (2017)
h-AlN-Mg(OH)(2) van derWaals bilayer heterostructure: Tuning the excitonic characteristics
C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
Phys. Rev. B 95, 075423 (2017)
Local environment effects in the magnetic properties and electronic structure of disordered FePt
S. A. Khan, J. Minar, H. Ebert, P. Blaha, O. Sipr
Physical Review B 95, 14408 (2017)
Decomposition behavior of platinum clusters supported on ceria and gamma-alumina in the presence of carbon monoxide
I. Z. Koleva, H. A. Aleksandrov, G. N. Vayssilov
Catal. Sci. Technol. 7, 734-742 (2017)
Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials
H. Hubener, M. A. Sentef, U. De Giovannini, A. F. Kemper, A. Rubio
Nature Communications 8, 13940 (2017)
Pressure induced phase transition in correlated oxides and simple metals: Mott and charge-transfer insulators
A. Rubio
IOP Conf. Series: Journal of Physics Conf. Series 950, 032003 (2017)
Magneto-optical reflection spectroscopy on graphene/Co in the soft x-ray range
H.-Ch. Mertins, C. Jansing, M. Gilbert, M. Krivenkov, J. Sanchez-Barriga, A. Varykhalov, O. Rader, H. Wahab, H. Timmers, A. Gaupp, M. Tesch, A. Sokolov, D. Legut, P. M. Oppeneer
IOP Conf. Series: Journal of Physics: Conf. Series 903, 012025 (2017)

EUSpec publications 2016

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory
R. H. Myhre, S. Coriani, H. Koch
J. Chem. Theory Comput. 12, 2633–2643 (2016)
Coupled Cluster Study of Photoionization and Photodetachment Cross Sections
B. N. C. Tenorio, M. A. C. Nascimento, S. Coriani, A. B. Rocha
J. Chem. Theory Comput. 12, 4440–4459 (2016)
Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles
A. Dewandre, O. Hellman, S. Bhattacharya, A. H. Romero, G. K. H. Madsen, M. J. Verstraete
Phys. Rev. Lett. 117, 276601 (2016)
Universal steps in quantum dynamics with time-dependent potential-energy surfaces: Beyond the Born-Oppenheimer picture
G. Albareda, A. Abedi, I. Tavernelli, A. Rubio
Phys. Rev. A 94, 062511 (2016)
Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study
K. Palotas, I. Bako, L. Bugyi
Appl. Surf. Science 389, 1094-1103 (2016)
Polyyne electronic and vibrational properties under environmental interactions
M. Wanko, S. Cahangirov, L. Shi, P. Rohringer, Z. J. Lapin, L. Novotny, P. Ayala, T. Pichler, A. Rubio
Phys. Rev. B 94, 195422 (2016)
Negative plasmon dispersion in 2H-NbS2 beyond the charge-density-wave interpretation
P. Cudazzo, E. Muller, C. Habenicht, M. Gatti, H. Berger, M. Knupfer, A. Rubio, S. Huotari
New Journal of Physics 18, 103050 (2016)
Nickel: The time-reversal symmetry conserving partner of iron on a chalcogenide topological insulator
M. Vondracek, L. Cornils, J. Minar, J. Warmuth, M. Michiardi, C. Piamonteze, L. Barreto, J. A. Miwa, M. Bianchi, Ph. Hofmann, L. Zhou, A. Kamlapure, A. A. Khajetoorians, R. Wiesendanger, J.-L. Mi, B.-B. Iversen, S. Mankovsky, S. Borek (DE), H. Ebert, M. Schuler, T. Wehling, J. Wiebe, J. Honolka
Phys. Rev. B 94, 161114 (2016)
Ab initio calculations of X-ray magnetic circular dichroism spectra within the projector augmented wave method: An implementation into the VASP code
A. Dixit, M. Alouani
Computer Physics Communications 207, 136-144 (2016)
Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
D. J. Mowbray, A. P. Paz, G. Ruiz-Soria, M. Sauer, P. Lacovig, M. Dalmiglio, S. Lizzit, K. Yanagi, A. Goldoni, T. Pichler, P. Ayala, A. Rubio
J. Phys. Chem. C 120, 18316-18322 (2016)
Stability of the Dirac cone in artificial graphene formed in quantum wells: a computational many-electron study
I. Kylanpaa, F. Berardi, E. Rasanen, P. Garcia-Gonzalez, C. A. Rozzi, A. Rubio
New Journal of Physics 18, 083014 (2016)
Quantum plasmonics: from jellium models to ab initio calculations
A. Varas, P. Garcia-Gonzalez, J. Feist, F. J. Garcia-Vidal, A. Rubio
Nanophotonics 5, 409-426 (2016)
New Graphical User Interface for EXAFS analysis with the GNXAS suite of programs
K. Hatada, F. Iesari, L. Properzi, M. Minicucci and A. di Cicco
J. Phys.: Conf. Ser. 712, 012002 (2016).
Recent developments in the ABINIT software package
X. Gonze, F. Jollet, F. A. Araujo, D. Adams, B Amadon, T. Applencourt, C. Audouze, J.-M. Beuken, J. Bieder, A. Bokhanchuk, E. Bousquet, F. Bruneval, D. Caliste, M. Cote, F. Dahm, F. Da Pieve, M. Delaveau, M. Di Gennaro, B. Dorado, C. Espejo, G. Geneste, L. Genovese, A. Gerossier, M. Giantomassi, Y. Gillet, D. R. Hamann, L. He, G. Jomard, J. L. Janssen, S. Le Roux, A. Levitt, A. Lherbier, F. Liu, I. Lukacevic, A. Martin, C. Martins, M. J. T. Oliveira, S. Ponce, Y. Pouillon, T. Rangel, G.-M. Rignanese, A. H. Romero, B. Rousseau, O. Rubel, A. A. Shukri, M. Stankovski, M. Torrent, M. J. Van Setten, B. Van Troeye, M. J. Verstraete, D. Waroquiers, J. Wiktor, B. Xu, A. Zhou, J. W. Zwanziger
Computer Physics Communications 205, 106-131 (2016)
Exact maps in density functional theory for lattice models
T. Dimitrov, H. Appel, J. I. Fuks, A. Rubio
New Journal of Physics 18, 083004 (2016)
Electronic Structure of Low-Dimensional Carbon pi-Systems
c, I. Boukahil, R. M. Qiao, A. Rubio, F. J. Himpsel
J. Phys. Chem. C 120, 12362-12368 (2016)
Confined linear carbon chains as a route to bulk carbyne
L. Shi, P. Rohringer, K. Suenaga, Y. Niimi, J. Kotakoski, J. C. Meyer, H. Peterlik, M. Wanko, S. Cahangirov, A. Rubio, Y. J. Lapin, L. Novotny, P. Ayala, T. Pichler
Nature Materials 15, 634 (2016)
ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes
J. Q. Xu, C. R. Natoli, P. Kruger, K. Hayakawa, D. Sebilleau, L. Song, K. Hatada
Comp. Phys. Commun. 203, Pages: 331-338 (2016)
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
J. Walkenhorst, U. De Giovannini, A. Castro, A. Rubio
Eur. Phys. J. B 89, 128 (2016)
On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment
B. F. Milne, C. Kjaer, J. Houmoller, M. H. Stockett, Y. Toker, A. Rubio, S. B. Nielsen
Angew. Chem. Int. Ed. 55, 6248-6251 (2016)
Theoretical Insight into the Internal Quantum Efficiencies of Polymer/C-60 and Polymer/SWNT Photovoltaic Devices
L. N. Glanzmann, D. J. Mowbray
J. Phys. Chem. C 120, 6336-6343 (2016)
On the possibility of using X-ray Compton scattering to study magnetoelectrical properties of crystals
S. P. Collins, D. Laundy, T. Connolley, G. van der Laan, F. Fabrizi, O. Janssen, M. J. Cooper, H. Ebert, S. Mankovsky
Acta Cryst. A 72, 197-205 (2016)
Density functional theory study of the alpha-gamma phase transition in cerium: Role of electron correlation and f-orbital localization
M. Casadei, X. G. Ren, P. Rinke, A. Rubio, M. Scheffler
Phys. Rev. B 93, 075153 (2016)
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2
E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters
J. Appl. Phys. 119, 074307 (2016)
Ultrafast reflectivity dynamics of highly excited Si surfaces below the melting transition
R. Gunnella, G. Zgrablic, E. Giangrisostomi, F. D'Amico, E. Principi, C. Masciovecchio, A. Di Cicco and F. Parmigiani
T36">Phys. Rev. B 94, 155427 (2016).
Fermi Surface Manipulation by External Magnetic Field Demonstrated for a Prototypical Ferromagnet
E. Mlynczak, M. Eschbach, S. Borek (DE), J. Minar, J. Braun (DE), I. Aguilera, G. Bihlmayer, S. Doring, M. Gehlmann, P. Gospodaric, S. Suga, L. Plucinski, S. Blugel, H. Ebert, C. M. Schneider
Phys. Rev. X 6, 041048 (2016)
Determination of surface and interface magnetic properties for the multiferroic heterostructure Co/BaTiO3 using spleed and arpes
S. Borek, J. Braun, J. Minar, D. Kutnyakhov, H. J. Elmers, G. Schonhense, H. Ebert
J. Phys. Cond. Matter 28, 436004 (2016)
One-step theory of two-photon photoemission
J. Braun, R. Rausch, M. Potthoff, H. Ebert
Phys. Rev. B 94, 125128 (2016)
Local electron-electron interaction strength in ferromagnetic nickel determined by spin-polarized positron annihilation
H. Ceeh, J. A. Weber, P. Boni, M. Leitner, D. Benea, L. Chioncel, H. Ebert, J. Minar, D. Vollhardt, C. Hugenschmidt
Scientific Reports 6, 20898 (2016)
High Pressure Vibrational Properties of WS2 Nanotubes
K. R. O'Neal, J. G. Cherian, A. Zak, R. Tenne, Z. Liu, J. L. Musfeldt
Nano Lett. 16, 993-999 (2016)
Dynamics of Photoelectrons and Structural Changes of Tungsten Trioxide Observed by Femtosecond Transient XAFS
Y. Uemura, D. Kido, Y. Wakisaka, H. Uehara, T. Ohba, Y. Niwa, S. Nozawa, T. Sato, K. Ichiyanagi, R. Fukaya, S. Adachi, T. Katayama, T. Togashi, S. Owada, K. Ogawa, M. Yabashi, K. Hatada, S. Takakusagi, T. Yokoyama, B. Ohtani, K. Asakura
Agew. Chem. Int. Ed. 55, 1364-1367 (2016)
Fully relativistic multiple scattering theory for general potentials
H. Ebert, J. Braun, D. Kodderitzsch, and S. Mankovsky
Phys. Rev. B 93, 075145 (2016)
Spilling of electronic states in Pb quantum wells
M. Jalochowski, K. Palotas, M. Krawiec
Phys. Rev. B 93, 035437 (2016)
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
E. Martinez-Perinan, A. de Juan, Y. Pouillon, C. Schierl, V. Strauss, N. Martin, A. Rubio, D. M. Guldi, E. Lorenzo, E. M. Perez
Nanoscale 8, 9254-9264 (2016)
Interband plasmons in supported graphene on metal substrates: Theory and experiments
A. Politano, I. Radovic, D. Borka, Z. L. Miskovic, G. Chiarello
CARBON 96, 91-97 (2016)
Radiation damage on Langmuir monolayers of the anionic 1.2-dipalmitoyl-sn-glycero-3-[phospho-rac-(1-glycerol)] (sodium salt) (DPPG) phospholipid at the
air-DNA solution interface
P. J. Gomes, A. M. P. S. G. da Silva, P. A. Ribeiro, O. N. Jr. Oliveira, M. Raposo

EUSpec publications 2015

Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
S. Coriani, H. Koch
J. Chem. Phys. 143, 181103 (2015)
Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space
J. Flick, M. Ruggenthaler, H. Appel, A. Rubio
Multiferroic heterostructures for spin filter applications: An ab initio study
S. Borek (DE), J. Braun (DE), H. Ebert, J. Minar
Phys. Rev. B 92, 174408 (2015)
Ab initio calculation of spin-polarized low-energy electron diffraction pattern for the systems Fe(001) and Fe(001)- p(1x1)O
S. Borek (DE), J. Braun (DE), J. Minar, H. Ebert
Phys. Rev. B 92, 075126 (2015)
Anomalous d-like surface resonances on Mo(110) analyzed by time-of-flight momentum microscopy
S. V. Chernov, K. Medjanik, C. Tusche, D. Kutnyakhov, S. A. Nepijko, A. Oelsner,J. Braun (DE), J. Minar, S. Borek (DE), H. Ebert, H. J. Elmers, J. Kirschner, G. Schonhense
Ultramicroscopy, 159 Special Issue: SI, 453-463 (2015)
X-ray absorption spectra of graphene and graphene oxide by full-potential multiple scattering calculations with self-consistent charge density
J.Q. Xu, P. Kruger, C. R. Natoli, K. Hayakawa, Z. Y. Wu, K. Hatada
Phys. Rev. B 92, 125408 (2015)
Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?
I. Theophilou, N. N. Lathiotakis, N. I. Gidopoulos, A. Rubio, N. Helbig
J. Chem. Phys. 143, 054106 (2015)
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
A. Castro, A. Rubio, E. K. U. Gross
Eur. Phys. J. B 88 : 191 (2015)
Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2
H. Sun, D. J. Mowbray, A. Migani, J. Zhao, H. Petek, A. Rubio
ACS Catal. 5 (7), 4242 (2015)
Fermi Surface of Three-Dimensional La1-xSrxMnO3 Explored by Soft-X-Ray ARPES: Rhombohedral Lattice Distortion and its Effect on Magnetoresistance
L. L. Lev, J. Krempasky, U. Staub, V. A. Rogalev, T. Schmitt, M. Shi, P. Blaha, A. S. Mishchenko, A. A. Veligzhanin, Y. V. Zubavichus, M. B. Tsetlin, H. Volfova, J. Braun (DE), J. Minar, V. N. Strocov
Phys. Rev. Lett. 114, 237601 (2015)
Momentum-Resolved Spin Dynamics of Bulk and Surface Excited States in the Topological Insulator BiSe3
C. Cacho, A. Crepaldi, M. Battiato, J. Braun, F. Cilento, M. Zacchigna, M. C. Richter, O. Heckmann, E. Springate, Y. Liu, S. S. Dhesi, H. Berger, Ph. Bugnon, K. Held, M. Grioni, H. Ebert, K. Hricovini, J. Minar, and F. Parmigiani
Phys. Rev. Lett. 114, 097401 (2015)
Large Seebeck effect by charge-mobility engineering
P. J. Sun, B. P. Wei, J. H. Zhang, J. M. Tomczak, A. M. Strydom, M. Sondergaard, B. B. Iversen, F. Steglich

Nature Communications, 6, 7475 (2015)
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine
G. Abareda, J. M. Bofill, I. Tavernelli, F. Huarte-Larranaga, F. Illas, A. Rubio
J. Phys. Chem. Lett. 6, 1529-1535 (2015)
Exciton dispersion in molecular solids
P. Cudazzo, F. Sottile, A. Rubio, M. Gatti
J. Phys.: Condens. Matter 27, 113204 (2015)
Modifying the Interlayer Interaction in Layered Materials with an Intense IR Laser
Y. Miyamoto, H. Zhang, T. Miyazaki, A. Rubio
Phys. Rev. Lett. 114, 116102 (2015)
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
X. Andrade, D. Strubbe, U. De Giovannini, A. H. Larsen, M. J. T. Oliveira, J. Alberdi-Rodriguez, A. Varas, I. Theophilou, N. Helbig, M. J. Verstraete, L. Stella, F. Nogueira, A. Aspuru-Guzik, A. Castro, M. A. L. Marques, A. Rubio
Phys. Chem. Chem. Phys. 17, 31371-31396 (2015)
Optical field terahertz amplitude modulation by graphene nanoribbons
H. Zhang, Y. Miyamoto, X. L. Cheng, A. Rubio
Nanoscale 7, 19012-19017 (2015)
Insights into colour-tuning of chlorophyll optical response in green plants
J. Jornet-Somoza, J. Alberdi-Rodriguez, B. F. Milne, X. Andrade, M. A. L. Marques, F. Nogueira, M. J. T. Oliveira, J. J. P. Stewart, A. Rubio
Phys. Chem. Chem. Phys., 17, 26599-26606 (2015)
The Soret absorption band of isolated chlorophyll a and b tagged with quaternary ammonium ions
M. H. Stockett, L. Musbat, C. Kjaer, J. Houmoller, Y. Toker, A. Rubio, B. F. Milne, S. B. Nielsen
Phys. Chem. Chem. Phys.,17, 25793-25798 (2015))
Exploring the optoelectronic structure and thermoelectricity of recent photoconductive chalcogenides compounds, CsCdInQ(3) (Q = Se, Te)
W. Khan, S. Goumri-Said
RSC ADVANCES 5, 9455-9461 (2015)

EUSpec publications 2014

Interplay of electron heating and saturable absorption in ultrafast extreme ultraviolet transmission of condensed matter
A. Di Cicco, K. Hatada, E. Giangrisostomi, R. Gunnella, F Bencivenga, E. Principi, C. Masciovecchio, A. Filipponi
Phys. Rev. B 90, 220303 (2014)
Quantum electrodynamical time-dependent density-functional theory for many-electron systems on a lattice
M. Farzanehpour, I. V. Tokatly
Phys. Rev. B 90, 195149 (2014)
Ab initio nanoplasmonics: The impact of atomic structure
P. Zhang, J. Feist, A. Rubio, P. Garcia-Gonzalez, F. J. Garcia-Vidal
Phys. Rev. B 90, 161407 (2014)
Induced work function changes at Mg-doped MgO/Ag(001) interfaces: Combined Auger electron diffraction and density functional studyI
T. Jaouen, P. Aebi, S. Tricot, G. Delhaye, B. Lepine, D. Sebilleau, G. Jezequel, P. Schieffer
Phys. Rev. B 90, 125433 (2014)