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G. Roma, Y. Limoge, and L. Martin-samos, Oxygen and silicon self-diffusion in quartz and silica: The contribution of first principles calculations, Def. Diff. Forum, vol.49, pp.258-260542, 2006.

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J. Crocombette and G. Roma, Étude bibliographique sur les simulations à l'échelle atomique des défauts et dégats d'irradiation dans le carbure de silicium. Note Technique DEN, 2009.

T. Liao, G. Roma, /. Dans, . Dmn, . Srmp et al., Silicon di-interstitial structures in 3C- SiC, pp.23-43, 2008.

T. Liao, O. N. Bedoya-martínez, and G. Roma, Stoichiometric Defects in Silicon Carbide, The Journal of Physical Chemistry C, vol.114, issue.51, pp.22691-22696, 2010.
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F. Bruneval and G. Roma, Energetics and metastability of the silicon vacancy in cubic SiC, Physical Review B, vol.83, issue.14, pp.144116-66, 2011.
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G. Roma, Data for chemical kinetics in SiC

O. N. Bedoya-martínez and G. Roma, Activation entropies for diffusion in cubic silicon carbide from first principles, Physical Review B, vol.82, issue.13
DOI : 10.1103/PhysRevB.82.134115

T. Liao, O. N. Bedoya-martínez, and G. Roma, Stoichiometric Defects in Silicon Carbide, The Journal of Physical Chemistry C, vol.114, issue.51, pp.22691-22696, 2010.
DOI : 10.1021/jp107372w

M. Bockstedte, A. Mattausch, and O. Pankratov, Ab initio study of the migration of intrinsic defects in 3C-SiC, Phys. Rev. B, vol.68, issue.66, p.37, 2003.

T. Liao, G. Roma, /. Dans, . Dmn, . Srmp et al., Silicon di-interstitial structures in 3C-SiC, pp.23-43, 2008.

N. T. Son, E. Janzén, J. Isoya, N. Morishita, H. Hanaya et al., SiC, Physical Review B, vol.80, issue.12, p.125201, 2009.
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URL : https://hal.archives-ouvertes.fr/hal-01058125

A. Mattausch, M. Bockstedte, and O. Pankratov, Structure and vibrational spectra of carbon clusters in SiC, Physical Review B, vol.70, issue.23, p.235211, 2004.
DOI : 10.1103/PhysRevB.70.235211

B. C. Vitae and B. , 2 Publications et communications B.2.1 Articles dans des revues internationales avec comité de lecture 1. Fabien Bruneval and Guido Roma Energetics and metastability of the silicon vacancy in cubic SiC, Phys. Rev. B, vol.83, issue.37, pp.144116-144157, 2011.

T. Liao, O. N. Bedoya-martínez, and G. Roma, Stoichiometric Defects in Silicon Carbide, The Journal of Physical Chemistry C, vol.114, issue.51, pp.22691-22696, 2010.
DOI : 10.1021/jp107372w

G. Roma, Palladium in cubic silicon carbide: Stability and kinetics, Journal of Applied Physics, vol.106, issue.12, pp.123504-123547, 2009.
DOI : 10.1063/1.3234392

L. Martin-samos, Y. Limoge, and G. Roma, : Valence alternation pair model, Physical Review B, vol.76, issue.10, pp.104203-104252, 2007.
DOI : 10.1103/PhysRevB.76.104203

G. Roma and Y. Limoge, : Self-doping and contribution to ionic conductivity, Physical Review B, vol.70, issue.17, pp.174101-174114, 2004.
DOI : 10.1103/PhysRevB.70.174101

G. Roma, Y. Limoge, and S. Baroni, -Quartz, Physical Review Letters, vol.86, issue.20, pp.4564-4567, 2001.
DOI : 10.1103/PhysRevLett.86.4564
URL : https://hal.archives-ouvertes.fr/hal-01425612

S. Ossicini, C. M. Bertoni, M. Biagini, A. Lugli, G. Roma et al., Optical properties of isolated and interacting silicon quantum wires, Thin Solid Films, vol.297, issue.1-2, pp.154-162, 1997.
DOI : 10.1016/S0040-6090(96)09442-4

G. Roma, C. M. Bertoni, and S. Baroni, The phonon spectra of LiH and LiD from density-functional perturbation theory, Solid State Communications, vol.98, issue.3, pp.203-207, 1996.
DOI : 10.1016/0038-1098(96)00067-1

G. Roma, F. Bruneval, T. Liao, O. N. Bedoya-martínez, and J. Crocombette, Articles pour des conférences internationales avec comité de lec- ture 16 Formation and migration energy of native defects in silicon carbide from first principles : an overview, Def. Diff. Forum, pp.17-37, 2012.

T. Liao and G. Roma, Stability of Neutral Silicon Interstitials in 3C- and 4H-SiC: A First-Principles Study, Defect and Diffusion Forum, vol.283, issue.286, pp.283-28674, 2009.
DOI : 10.4028/www.scientific.net/DDF.283-286.74

G. Roma, Y. Limoge, and L. Martin-samos, Oxygen and silicon self-diffusion in quartz and silica : The contribution of first principles calculations, Def. Diff. Forum, pp.258-260542, 2006.

G. Roma, A First Principles Study of Palladium Impurities in Silicon Carbide, Advances in Science and Technology, vol.45, pp.1969-1973, 2006.
DOI : 10.4028/www.scientific.net/AST.45.1969

L. Martin-samos, Y. Limoge, J. P. Crocombette, G. Roma, and N. Richard, Oxygen Self-Diffusion Mechanisms in Silica by First-Principles, Defect and Diffusion Forum, vol.237, issue.240
DOI : 10.4028/www.scientific.net/DDF.237-240.115

G. Roma and Y. Limoge, A first principles study of native defects in ??-quartz, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol.202, pp.120-124, 2003.
DOI : 10.1016/S0168-583X(02)01845-1

S. Ossicini, M. Biagini, C. M. Bertoni, G. Roma, and O. Bisi, Ab-Initio Calculation of the Optical Properties of Silicon Quantum Wires, Advances in Microcrystalline and Nanocrystalline Semiconductors, pp.63-68, 1996.
DOI : 10.1063/1.110330

S. Ossicini, M. Biagini, C. M. Bertoni, G. Roma, and O. Bisi, Confinement and passivation in isolated and coupled silicon quantum wires, 23rd International Conference on the Physics of Semiconductors, pp.1205-1208, 1996.

C. M. Bertoni, G. Roma, and R. D. Felice, Electronic structure of adsorbates on surfaces Adsorption on semiconductors The Netherlands, Electronic Structure, volume II of Handbook of Surface Science, pp.247-283, 2000.

@. Dimat, Conférence plénière : Understanding defect kinetics from first principles calculations in insulators and semiconductors : selected problems in silicon carbide and silicon dioxide ? Diffusion in Solids and Liquids First principles studies of defects and defect clusters in silicon carbide : recent results ? Diffusion in Solids and Liquids The contribution of first principles calculations to the study of diffusion in insulators : selected open problems and achievements ? Diffusion in Solids and Liquids, Diffusion mechanisms in SiO 2 : from defects to Fermi level role, 2006.

@. Cecam-workshop, Understanding the similarities of SiO 2 , H 2 O and other systems with tetrahedral local order, organisé par J. Horbach et M. Mueser), Juillet Native defects in ?-quartz : structure and concentrations ? Colloques nationaux : ? Troisième colloque Matériaux, INSTN/CEA-Saclay, 2002.

. Sujet, Étude ab-initio de défauts ponctuels et agrégats de défauts dans le carbure de silicium B.3.3 Étudiants en Master Nom : Eric Verfaillie Durée, Techniques de Modélisation et Simulation Sujet : Visualisation interactive de grandeurs caractérisant des défauts ponctuels dans les solides, pp.6-10, 2004.

N. Durée, Application de méthodes statistiques à la paramétrisation de modèles simplifiés pour la description atomistique des matériaux Nom : Alexandre Volgin Durée, XI, Physique Fondamentale Sujet : Étude ab-initio de défauts intrinsèques dans le carbure de silicium B.4 Activités et compétences complémentaires B.4.1 Activités d'expertise ? Membre de comité de lecture pour le journaux suivants : Physical Review B Journal of Applied Physics B. Curriculum Vitae Applied Physics Letters Defects and Diffusion Forum Nuclear Instruments and Methods in Physical Research B Zeitschrift für Physikalische Chemie, pp.6-10, 2006.

G. Roma, Y. Limoge, and S. Baroni, Oxygen self-diffusion in ?-quartz

G. Roma and Y. Limoge, : Self-doping and contribution to ionic conductivity, Physical Review B, vol.70, issue.17, pp.174101-174114, 2004.
DOI : 10.1103/PhysRevB.70.174101

L. Martin-samos, Y. Limoge, and G. Roma, : Valence alternation pair model, Physical Review B, vol.76, issue.10, pp.104203-104252, 2007.
DOI : 10.1103/PhysRevB.76.104203

G. Roma, Palladium in cubic silicon carbide: Stability and kinetics, Journal of Applied Physics, vol.106, issue.12, pp.123504-123547, 2009.
DOI : 10.1063/1.3234392

T. Liao, O. N. Bedoya-martínez, and G. Roma, Stoichiometric Defects in Silicon Carbide, The Journal of Physical Chemistry C, vol.114, issue.51, pp.22691-22696, 2010.
DOI : 10.1021/jp107372w

F. Bruneval and G. Roma, Energetics and metastability of the silicon vacancy in cubic SiC, Physical Review B, vol.83, issue.14, pp.144116-65, 2011.
DOI : 10.1103/PhysRevB.83.144116

T. Liao, G. Roma, /. Dans, . Dmn, . Srmp et al., Silicon di-interstitial structures in 3C-SiC, pp.23-43, 2008.