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Recent Publications

A more complete list can be found on GoogleScholar

 

Nuclear Quantum Effects in Materials Science
« Nuclear quantum effects in the hydrogen bond symmetrization phase transition of δ-AlOOH »
Y. Bronstein, P. Depondt, F. Finocchi
Submitted

« Quantum-driven phase transition in ice described via an efficient Langevin approach »
Y. Bronstein, P. Depondt, F. Finocchi, A.M. Saitta
Physical Review B 89 (21), 214101 (2014)

Highlight of INSP

« Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations »
H. Dammak, E. Antoshchenkova, M. Hayoun, F. Finocchi
Journal of Physics : Condensed Matter 24 (43), 435402 (2012)

Water / Oxide Interfaces
« Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics : MgO (001) »
S. Laporte, F. Finocchi, L. Paulatto, M. Blanchard, E. Balan, F. Guyot, A.M. Saitta
Physical Chemistry Chemical Physics 17 (31), 20382-20390 (2015)

« The role of hydroxylation in the step stability and in the interaction between steps : a first-principles study of vicinal MgO surfaces »
F. Finocchi, P. Geysermans, A. Bourgeois
Physical Chemistry Chemical Physics 14 (39), 13692-13701 (2012)

« Common fingerprint of hydroxylated non-polar steps on MgO smoke and MgO films »
L. Savio, M. Smerieri, A. Orzelli, L. Vattuone, M. Rocca, F. Finocchi, J Jupille
Surface Science 604 (3), 252-257 (2010)

« Combination of (100),(110) and (111) facets in MgO crystals shapes from dry to wet environment »
P. Geysermans, F. Finocchi, J. Goniakowski, R. Hacquart, J. Jupille
Physical Chemistry Chemical Physics 11 (13), 2228-2233 (2009)

« Hydroxyl-defect complexes on hydrated MgO smokes »
F. Finocchi, R. Hacquart, C. Naud, J. Jupille
The Journal of Physical Chemistry C 112 (34), 13226-13231 (2008)

« The effects of exchange and correlation on the computed equilibrium shapes of wet MgO crystallites »
F. Finocchi, J. Goniakowski
Surface Science 601 (18), 4144-4148 (2007)

« Water on extended and point defects at MgO surfaces »
D. Costa, C. Chizallet, B. Ealet, J. Goniakowski, F. Finocchi
The Journal of chemical physics 125 (5), 054702 (2006)

Electronic and Structural Properties of Oxide Surfaces
« Stability and stoichiometry of (polar) oxide surfaces for varying oxygen chemical potential »
A. Barbier, A. Stierle, F. Finocchi, J. Jupille
Journal of Physics : Condensed Matter 20 (18), 184014

« Polarity of oxide surfaces and nanostructures »
J. Goniakowski, F. Finocchi, C. Noguera
Reports on Progress in Physics 71 (1), 016501 (2008) – Review Paper

« Optical properties of real surfaces : Local-field effects at oxidized Si (100)(2× 2) computed with an efficient numerical scheme »
L. Caramella, G. Onida, F. Finocchi, L. Reining, F. Sottile
Physical Review B 75 (20), 205405 (2007)

« Sr Ti O 3 substrates capped with a GaAs monolayer : An ab initio study »
F. Bottin, F. Finocchi
Physical Review B 76 (16), 165427 (2007)

« Adsorption and diffusion of Mg, O, and O2 on the MgO (001) flat surface »
G. Geneste, J. Morillo, F. Finocchi
The Journal of chemical physics 122 (17), 174707 (2005)

« Stability of rocksalt (111) polar surfaces : Beyond the octopole »
F. Finocchi, A. Barbier, J. Jupille, C. Noguera
Physical Review Letters 92 (13), 136101 (2004)

Growth
« Combined experimental and theoretical study of fast atom diffraction on the β 2 (2× 4) reconstructed GaAs (001) surface »
M Debiossac, A Zugarramurdi, H Khemliche, P Roncin, AG Borisov, A Momeni, P. Atkinson, M. Eddrief, F. Finocchi, V.H. Etgens
Physical Review B 90 (15), 155308 (2014)

« Kinetic Monte-Carlo simulation of the homoepitaxial growth of MgO 001 thin films by molecular deposition »
E. Antoshchenkova, M. Hayoun, F. Finocchi, G. Geneste
Surface Science 606 (5), 605-614 (2012)

« Zinc oxide scaffolds on MgO nanocubes »
S. Stankic, A. Sternig, F. Finocchi, J. Bernardi, O. Diwald
Nanotechnology 21 (35), 355603 (2010)

« Thermodynamics and kinetics of the Schottky defect at terraces and steps on the MgO (001) surface »
E. Antoshchenkova, M. Hayoun, G. Geneste, F. Finocchi
Physical Chemistry Chemical Physics 12 (26), 7251-7257 (2010)

« Grazing incidence fast atom diffraction : An innovative approach to surface structure analysis »
H. Khemliche, P. Rousseau, P. Roncin, V.H. Etgens, F. Finocchi
Applied Physics Letters 95 (15), 151901 (2009)

« Hexagon-on-cube versus cube-on-cube epitaxy : The case of ZnSe (111) on SrTiO 3 (001) »
B.R. Salles, K. Kunc, M. Eddrief, V.H. Etgens, F. Finocchi, F. Vidal
Physical Review B 79 (15), 155312 (2009)

« Primary nucleation processes in binary oxide growth : The case of MgO »
G. Geneste, J. Morillo, F. Finocchi, M. Hayoun
Surface Science 601 (23), 5616-5627 (2007)