Theoretical Spectroscopy Group

G. Fugallo, Cudazzo, P., Gatti, M., and Sottile, F., “Exciton band structure of molybdenum disulfide: from monolayer to bulk”, Electronic Structure, vol. 3. IOP Publishing, p. 014005, 2021.

M. Vanzini, Sottile, F., Reshetnyak, I., Ciuchi, S., Reining, L., and Gatti, M., “Design of auxiliary systems for spectroscopy”, Faraday Discuss., vol. -. The Royal Society of Chemistry, p. -, 2020.

C. Vorwerk, Sottile, F., and Draxl, C., “Excitation pathways in resonant inelastic x-ray scattering of solids”, Phys. Rev. Research, vol. 2. American Physical Society, p. 042003, 2020.

I. Reshetnyak, Gatti, M., Sottile, F., and Reining, L., “Excitons on a microscopic level: The mixed dynamic structure factor”, Phys. Rev. Research, vol. 1. American Physical Society, p. 032010, 2019.

S. M. Anderson, Mendoza, B. S., Fugallo, G., and Sottile, F., “Plasmon dispersion in graphite: A comparison of current ab initio methods”, Phys. Rev. B, vol. 100. American Physical Society, p. 045205, 2019.

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.

C. Rödl, Ruotsalainen, K. O., Sottile, F., Honkanen, A. - P., Ablett, J. M., Rueff, J. - P., Sirotti, F., Verbeni, R., Al-Zein, A., Reining, L., and Huotari, S., “Low-energy electronic excitations and band-gap renormalization in CuO”, Phys. Rev. B, vol. 95. American Physical Society, p. 195142, 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.

L. Hung, Guedj, C., Bernier, N., Blaise, P., Olevano, V., and Sottile, F., “Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory”, Phys. Rev. B, vol. 93. American Physical Society, p. 165105, 2016.

S. Rigamonti, Botti, S., Veniard, V., Draxl, C., Reining, L., and Sottile, F., “Rigamonti et al. Reply:”, Phys. Rev. Lett., vol. 117. American Physical Society, p. 159702, 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.

S. Rigamonti, Botti, S., Veniard, V., Draxl, C., Reining, L., and Sottile, F., “Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme”, Phys. Rev. Lett., vol. 114. American Physical Society, p. 146402, 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.

C. Rödl, Sottile, F., and Reining, L., “Quasiparticle excitations in the photoemission spectrum of CuO from first principles: A $GW$ study”, Phys. Rev. B, vol. 91. American Physical Society, p. 045102, 2015.

Z. Yang, Sottile, F., and Ullrich, C. A., “Simple screened exact-exchange approach for excitonic properties in solids”, Phys. Rev. B, vol. 92. American Physical Society, p. 035202, 2015.

C. Guedj, Hung, L., Zobelli, A., Blaise, P., Sottile, F., and Olevano, V., “Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory”, Applied Physics Letters, vol. 105. p. 222904, 2014.

M. Guzzo, Kas, J. J., Sponza, L., Giorgetti, C., Sottile, F., Pierucci, D., Silly, M. G., Sirotti, F., Rehr, J. J., and Reining, L., “Multiple satellites in materials with complex plasmon spectra: From graphite to graphene”, Phys. Rev. B, vol. 89. p. 085425, 2014.

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.

L. Sponza, Veniard, V., Sottile, F., Giorgetti, C., and Reining, L., “Role of localized electrons in electron-hole interaction: The case of SrTiO3”, Phys. Rev. B, vol. 87. American Physical Society, p. 235102, 2013.

J. A. Berger, Reining, L., and Sottile, F., “Efficient calculation of the polarizability: a simplified effective-energy technique”, The European Physical Journal B, vol. 85. Springer-Verlag, pp. 1-10, 2012.

J. A. Berger, Reining, L., and Sottile, F., “Efficient GW calculations for SnO2, ZnO, and rubrene: The effective-energy technique”, Phys. Rev. B, vol. 85. American Physical Society, p. 085126, 2012.