Luigi Giacomazzi

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List of publications (link to Google Scholar record) • L. Giacomazzi et al Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles Journal of Physics: Condensed Matter 36, 215502 (2024) [link] • C. Simha, G. Herrero-Saboya, L. Giacomazzi, L. Martin-Samos, A. Hemeryck, N. Richard Deep Levels and Electron Paramagnetic Resonance Parameters of Substitutional Nitrogen in Silicon from First Principles Nanomaterials 13, 2123 (2023) [link] • L. Giacomazzi, N. S. Shcheblanov, M. E. Povarnitsyn, Y. Li, A. Mavrič, B. Zupančič, J. Grdadolnik, and A. Pasquarello Infrared spectra in amorphous alumina: A combined ab initio and experimental study Physical Review Materials 7, 045604 (2023) [link]. An arXiv version is available at arXiv. • I. Reghioua, L. Giacomazzi, A. Alessi, B. Winkler, L. Martin-Samos et al O2 Loaded Germanosilicate Optical Fibers: Experimental In Situ Investigation and Ab Initio Simulation Study of GLPC Evolution under Irradiation Applied Sciences 12, 3916 (2022) [link] • L. Giacomazzi et al Paramagnetic Intrinsic Point Defects in Alkali Phosphate Glasses: Unravelling the P3 Center Origin and Local Environment Effects J. Physical Chemistry C 125, 8741 (2021) [link] • N. Salles, L. Martin-Samos, S. de Gironcoli, L. Giacomazzi, M. Valant, A. Hemeryck, P. Blaise, B. Sklenard, N. Richard, Collective dipole effects in Ionic Transport under electric fields Nature Commun. 11, 3330 (2020) [link] • N. Richard et al Proprietes vibrationnelles et structurelles des verres de phosphate P2O5 et des inclusions P2O5 dans un verre de silice Chocs Avancees N. 14 (Juillet 2020) [link] • N. Salles, L. Martin-Samos, S. de Gironcoli, L. Giacomazzi, M. Valant, A. Hemeryck, P. Blaise, B. Sklenard, N. Richard, Defect creation and diffusion under electric fields from first-principles: the prototypical case of silicon dioxide SISPAD-2019 [link] • N. S. Shcheblanov et al, Vibrational and structural properties of P2O5 glass: advances from a combined modeling approach Phys. Rev. B 100 , 134309 (2019) [ link ] • S. Girard et al, Overview of radiation-induced point defects in silica-based optical fibers Reviews in Physics 4 , 100032 (2019) [ link ] • L. Giacomazzi, L. Martin-Samos, A. Alessi, M. Valant, A. Boukenter, Y. Ouerdane, S. Girard, N. Richard, S. De Gironcoli V-P2O5 microclustering in P-doped silica studied by a first-principles Raman investigation Scientific Reports 9 , 7126 (2019) [ link ] • Dean A. J. Whittaker, Luigi Giacomazzi, Devashibhai Adroja, Stephen M. Bennington, Alfredo Pasquarello, and Philip S. Salmon Partial vibrational density of states for amorphous solids from inelastic neutron scattering Phys. Rev. B 98, 064205 (2018) [ link ] • L. Giacomazzi, L. Martin-Samos, A. Alessi, M. Valant, K.C. Gunturu, A. Boukenter, Y. Ouerdane, S. Girard, N. Richard, Optical absorption spectra of P defects in vitreous silica, Optical Materials Express 8, 385 (2018) [ link ] • L. Giacomazzi, L. Martin-Samos, and N. Richard, et al Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms. Nanotechnology 28, 195202 (2017) [link] • B. Winkler, L. Martin-Samos, N. Richard, L. Giacomazzi, A. Alessi, S. Girard, A. Boukenter,Y. Ouerdane, and M. Valant Correlations Between Structural and Optical Properties of Peroxy Bridges from First-Principles J. Phys. Chem. C 121, 402 (2017) [ link ] • L. Giacomazzi, L. Martin-Samos, and N. Richard, Paramagnetic H-related defects in silica: a first-principles investigation. Proceedings of the CMMSE2016, 2, 570 (2016) [ link ] • L. Giacomazzi, L. Martin-Samos, N. Richard Paramagnetic centers in amorphous GeO2 Microelectronic Engineering 147, 130 (2015) [ link ] ***Poster at INFOS2015: Paramagnetic centers in a-GeO2 [link] • Sylvain Girard, Aziz Boukenter, Youcef Ouerdane, Nicolas Richard, Claude Marcandella, Philippe Paillet, Layla Martin-Samos, and Luigi Giacomazzi, Radiation Effects on Optical Fibers and Fiber-Based Sensors, in Ionizing Radiation Effects in Electronics: From Memories to Imagers, ed. M. Bagatin, S. Gerardin, CRC Press (2015), [ link ] • L. Giacomazzi, L. Martin-Samos, A. Boukenter, Y. Ouerdane, S. Girard, N. Richard Ge(2), Ge(1) and Ge-E′ centers in irradiated Ge-doped silica: a first-principles EPR study Optical Materials Express 5, 1054 (2015) [ link ] ***Presentation at Fismat2015: "First-principles investigation of paramagnetic centers in v-SiO2, Ge-doped SiO2 and v-GeO2." [link] • L. Giacomazzi, L. Martin-Samos, A. Boukenter, Y. Ouerdane, S. Girard, N. Richard EPR parameters of E′ centers in v-SiO2 from first-principles calculations Phys. Rev. B 90, 014108 (2014) [ link ] • N. Richard, S. Girard, L. Giacomazzi, L. Martin-Samos, D. Di Francesca, C. Marcandella, A. Alessi, P. Paillet, S. Agnello, A. Boukenter, Y. Ouerdane, M. Cannas, R. Boscaino Coupled Theoretical and Experimental Studies for the Radiation Hardening of Silica-Based Optical Fibers IEEE Transactions on Nuclear Science 61, 1819 (2014). [ link ] • P. Umari, L. Giacomazzi, F. De Angelis, M. Pastore, and S. Baroni, Energy-level alignment in organic dye-sensitized TiO2 from GW calculations. Journal of Chemical Physics 139 014709 (2013) [ link ] • M Leon, L Giacomazzi, Sylvain Girard, Nicolas Richard, P Martin, Layla Martin-Samos, A Ibarra, Aziz Boukenter, Youcef Ouerdane Neutron irradiation effects on the structural properties of KU1, KS-4V and I301 silica glasses IEEE Transactions on Nuclear Science 61, 1522 (2014). [ link ] • L. Giacomazzi and L. Martin-Samos, and N. Richard, Radiation induced color centers in Silica: a first-principles investigation. Proceedings of the CMMSE2013, 2 738 (2013) [ link ] • L. Giacomazzi and A. Pasquarello, Medium range structure of tetrahedrally-bonded glasses through the first principles investigation of Raman spectra AIP Conf. Proc. 1504 953 (2012) [ link ] • P. Umari, X. Qian, N. Marzari, G. Stenuit, L. Giacomazzi, S. Baroni Accelerating GW calculations with optimal polarizability basis (Chapt. 4) in Advanced Calculations for Defects in Materials: Electronic Structure Methods, Eds. Dr. A. Alkauskas, Prof. Dr. P. Deák, Prof. Dr. J. Neugebauer, Prof. Dr. A. Pasquarello, Prof. Dr. C. G. Van de Walle, (Wiley‐VCH Verlag GmbH & Co. KGaA (2011)) [ link ] • Luigi Giacomazzi, C. Massobrio, and Alfredo Pasquarello Vibrational properties of vitreous GeSe2 with BLYP density functional. J. Phys. Cond. Matter 23, 295401 (2011) [ link ] (abstract) *** Presentation (pdf) at ESG2012: "first-principles investigation of chemical disorder in v-GeSe2" [link ] • P. Umari, X. Qian, N. Marzari, G. Stenuit, L. Giacomazzi, S. Baroni Accelerating GW calculations with optimal polarizability basis Physica Status Solidi B 248, 527 (2011) [ link ] • L. Giacomazzi, P. Carrez, S. Scandolo, and P. Cordier Dislocation properties of coesite from an ab-initio parametrized interatomic potential Phys. Rev. B 83, 014110 (2011) [ link ] (abstract) • L. Giacomazzi and S. Scandolo Gypsum under pressure: A first-principles study Phys. Rev. B 81, 064103 (2010) [ link ] (abstract) Final report EuroSlab (pdf) • L. Giacomazzi and P. Umari First-principles investigation of electronic, structural and vibrational properties of a-Si3N4 Phys. Rev. B 80, 144201 (2009) [ link ] • Luigi Giacomazzi, P. Umari, and Alfredo Pasquarello Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra Phys. Rev. B 79, 064202 (2009) [ link ] • L. Giacomazzi and A. Pasquarello Vibrational spectra of vitreous SiO2 and vitreous GeO2 from first principles J. Phys. Cond. Matter 19, 415112(2007) [ link ] • Luigi Giacomazzi, C. Massobrio, and Alfredo Pasquarello First-Principles Investigation of the Structural and Vibrational Properties of Vitreous GeSe2 Phys. Rev. B 75, 174207 (2007) [ link ] • Luigi Giacomazzi, P. Umari, and Alfredo Pasquarello Vibrational spectra of vitreous germania from first-principles Phys. Rev. B 74, 155208 (2006) [ link ] • Luigi Giacomazzi, P. Umari, and Alfredo Pasquarello Medium-Range Structural Properties of Vitreous Germania Obtained through First-Principles Analysis of Vibrational Spectra. Phys. Rev. Lett 95, 075505 (2005) [ link ] • Luigi Giacomazzi, F. Toigo, and F. Ancilotto Dynamics of liquid 4He in confined geometries from time-dependent density functional calculations. Phys. Rev. B 67, 104501 (2003) [ link ] Published research data • Luigi Giacomazzi, P. Umari, and Alfredo Pasquarello Medium-Range Structure of vitreous SiO2 materialscloud:2019.0086/v1 [ link ] • Luigi Giacomazzi et al Infrared spectra in amorphous alumina materialscloud:2023.140 [ link ]