Theoretical Spectroscopy Group

H. Henck, Pierucci, D., Fugallo, G., Avila, J., Cassabois, G., Dappe, Y. J., Silly, M. G., Chen, C., Gil, B., Gatti, M., Sottile, F., Sirotti, F., Asensio, M. C., and Ouerghi, A., “Direct observation of the band structure in bulk hexagonal boron nitride”, Phys. Rev. B, vol. 95. American Physical Society, p. 085410, 2017.

J. Koskelo, Fugallo, G., Hakala, M., Gatti, M., Sottile, F., and Cudazzo, P., “Excitons in van der Waals materials: From monolayer to bulk hexagonal boron nitride”, Phys. Rev. B, vol. 95. American Physical Society, p. 035125, 2017.

P. Cudazzo, Sponza, L., Giorgetti, C., Reining, L., Sottile, F., and Gatti, M., “Exciton Band Structure in Two-Dimensional Materials”, Phys. Rev. Lett., vol. 116. American Physical Society, p. 066803, 2016.

J. S. Zhou, Kas, J. J., Sponza, L., Reshetnyak, I., Guzzo, M., Giorgetti, C., Gatti, M., Sottile, F., Rehr, J. J., and Reining, L., “Dynamical effects in electron spectroscopy”, The Journal of Chemical Physics, vol. 143. p. 184109, 2015.

M. Gatti, Sottile, F., and Reining, L., “Electron-hole interactions in correlated electron materials: Optical properties of vanadium dioxide from first principles”, Phys. Rev. B, vol. 91. American Physical Society, p. 195137, 2015.

P. Cudazzo, Sottile, F., Rubio, A., and Gatti, M., “Exciton dispersion in molecular solids”, Journal of Physics: Condensed Matter, vol. 27. p. 113204, 2015.

G. Fugallo, Aramini, M., Koskelo, J., Watanabe, K., Taniguchi, T., Hakala, M., Huotari, S., Gatti, M., and Sottile, F., “Exciton energy-momentum map of hexagonal boron nitride”, Phys. Rev. B, vol. 92. American Physical Society, p. 165122, 2015.

F. Bruneval and Gatti, M., “Quasiparticle Self-Consistent GW Method for the Spectral Properties of Co mplex Materials”, Topics in Current Chemistry, vol. 347. Springer Berlin Heidelberg, pp. 99-135, 2014.

M. Gatti and Guzzo, M., “Dynamical screening in correlated metals: Spectral properties of SrVO3 in the GW approximation and beyond”, Phys. Rev. B, vol. 87. American Physical Society, p. 155147, 2013.

M. Gatti and Sottile, F., “Exciton dispersion from first principles”, Phys. Rev. B, vol. 88. American Physical Society, p. 155113, 2013.

P. Cudazzo, Gatti, M., Rubio, A., and Sottile, F., “Frenkel versus charge-transfer exciton dispersion in molecular crystals”, Phys. Rev. B, vol. 88. American Physical Society, p. 195152, 2013.

P. Cudazzo, Gatti, M., and Rubio, A., “Local-field effects on the plasmon dispersion of two-dimensional transition metal dichalcogenides”, New Journal of Physics, vol. 15. p. 125005, 2013.

F. Roth, Cudazzo, P., Mahns, B., Gatti, M., Bauer, J., Hampel, S., Nohr, M., Berger, H., Knupfer, M., and Rubio, A., “Loss spectroscopy of molecular solids: combining experiment and theory”, New Journal of Physics, vol. 15. p. 125024, 2013.

C. Schuster, Gatti, M., and Rubio, A., “Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods”, EUROPEAN PHYSICAL JOURNAL B, vol. 85, 2012.

P. Cudazzo, Gatti, M., and Rubio, A., “Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene”, PHYSICAL REVIEW B, vol. 86, 2012.

F. Iori, Rodolakis, F., Gatti, M., Reining, L., Upton, M., Shvyd'ko, Y., Rueff, J. - P., and Marsi, M., “Low-energy excitations in strongly correlated materials: A theoretical and experimental study of the dynamic structure factor in V2O3”, Phys. Rev. B, vol. 86. American Physical Society, p. 205132, 2012.

P. Cudazzo, Gatti, M., and Rubio, A., “Plasmon dispersion in layered transition-metal dichalcogenides”, PHYSICAL REVIEW B, vol. 86, 2012.

F. Iori, Gatti, M., and Rubio, A., “Role of nonlocal exchange in the electronic structure of correlated oxides”, PHYSICAL REVIEW B, vol. 85, 2012.

M. Gatti, “Design of effective kernels for spectroscopy and molecular transport: Time-dependent current-density-functional theory”, JOURNAL OF CHEMICAL PHYSICS, vol. 134, 2011.

M. Gatti, “Design of effective kernels for spectroscopy and molecular transport: Time-dependent current–density-functional theory”, The Journal of Chemical Physics, vol. 134. AIP, p. 084102, 2011.

P. Cudazzo, Gatti, M., Roth, F., Mahns, B., Knupfer, M., and Rubio, A., “Plasmon dispersion in molecular solids: Picene and potassium-doped picene”, Physical Review B, vol. 84, p. 155118, 2011.

M. Guzzo, Lani, G., Sottile, F., Romaniello, P., Gatti, M., Kas, J. J., Rehr, J. J., Silly, M. G., Sirotti, F., and Reining, L., “Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites”, Phys. Rev. Lett., vol. 107. American Physical Society, p. 166401, 2011.

M. Gatti, Tokatly, I. V., and Rubio, A., “Sodium: A Charge-Transfer Insulator at High Pressures”, Physical Review Letters, vol. 104, p. 216404, 2010.

E. Papalazarou, Gatti, M., Marsi, M., Brouet, V., Iori, F., Reining, L., Annese, E., Vobornik, I., Offi, F., Fondacaro, A., Huotari, S., Lacovig, P., Tjernberg, O., Brookes, N. B., Sacchi, M., Metcalf, P., and Panaccione, G., “Valence-band electronic structure of V[sub 2]O[sub 3]: Identification of V and O bands”, Physical Review B (Condensed Matter and Materials Physics), vol. 80. APS, p. 155115, 2009.

S. Ossicini, Bisi, O., Degoli, E., Marri, I., Iori, F., Luppi, E., Magri, R., Poli, R., Cantele, G., Ninno, D., Trani, F., Marsili, M., Pulci, O., Olevano, V., Gatti, M., Gaal-Nagy, K., Incze, A., and Onida, G., “First-principles study of silicon nanocrystals: Structural and electronic properties, absorption, emission, and doping”, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, vol. 8. pp. 479-492, 2008.