Theoretical Spectroscopy Group

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.

M. L. Trolle, Pedersen, T. G., and Veniard, V., “Model dielectric function for 2D semiconductors including substrate screening”, Scientific Reports, vol. 7. p. 39844 - , 2017.

M. Bertocchi, Degoli, E., Veniard, V., Luppi, E., and Ossicini, S., “Second Harmonic Generation in Silicon Based Heterostructures: The Role of Strain and Symmetry”, Nanoscience and Nanotechnology Letters, vol. 9. 2017.

W. Tarantino, Romaniello, P., Berger, J. A., and Reining, L., “Self-consistent Dyson equation and self-energy functionals: An analysis and illustration on the example of the Hubbard atom”, Phys. Rev. B, vol. 96. American Physical Society, p. 045124, 2017.

N. Tancogne-Dejean, Giorgetti, C., and Veniard, V., “Ab initio description of second-harmonic generation from crystal surfaces”, Phys. Rev. B, vol. 94. 2016.

A. A. Shukri, Bruneval, F., and Reining, L., “Ab initio electronic stopping power of protons in bulk materials”, PHYSICAL REVIEW B, vol. 93. AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA, p. 035128, 2016.

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.

F. Da Pieve, “Fingerprints of entangled spin and orbital physics in itinerant ferromagnets via angle-resolved resonant photoemission”, Phys. Rev. B, vol. 93. American Physical Society, p. 035106, 2016.

S. M. Anderson, Tancogne-Dejean, N., Mendoza, B. S., and Veniard, V., “Improved ab initio calculation of surface second-harmonic generation from Si(111)($1\ifmmode\times\else×\fi1$):H”, Phys. Rev. B, vol. 93. p. 235304, 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.

P. Cudazzo, Müller, E., Habenicht, C., Gatti, M., Berger, H., Knupfer, M., Rubio, A., and Huotari, S., “Negative plasmon dispersion in 2 H -NbS 2 beyond the charge-density-wave interpretation”, New Journal of Physics, vol. 18. 2016.

S. Di Sabatino, Berger, J. A., Reining, L., and Romaniello, P., “Photoemission spectra from reduced density matrices: The band gap in strongly correlated systems”, Phys. Rev. B, vol. 94. American Physical Society, p. 155141, 2016.

V. G. Sala, Dal Conte, S., Miller, T. A., Viola, D., Luppi, E., Veniard, V., Cerullo, G., and Wall, S., “Resonant optical control of the structural distortions that drive ultrafast demagnetization in Cr_2O_3”, Phys. Rev. B, vol. 94. p. 014430, 2016.

E. Luppi and Veniard, V., “A review of recent theoretical studies in nonlinear crystals: towards the design of new materials”, Semiconductor Science and Technology, vol. 31. p. 123002, 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.

F. Pressacco, Uhlίř, V., Gatti, M., Bendounan, A., Fullerton, E. E., and Sirotti, F., “Stable room-temperature ferromagnetic phase at the FeRh(100) surface”, Scientific Reports, vol. 6. The Author(s), p. 22383 - , 2016.

A. Stan, “On the unphysical solutions of the Kadanoff-Baym equations in linear response: Correlation-induced homogeneous density-distribution and attractors”, Phys. Rev. B, vol. 93. American Physical Society, p. 041103, 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, Panaccione, G., and Reining, L., “Effects of Low-Energy Excitations on Spectral Properties at Higher Binding Energy: The Metal-Insulator Transition of ${\mathrm{VO}}_{2}$”, Phys. Rev. Lett., vol. 114. American Physical Society, p. 116402, 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.

A. Nicolaou, Gatti, M., Magnano, E., Le Fèvre, P., Bondino, F., Bertran, F., Tejeda, A., Sauvage-Simkin, M., Vlad, A., Garreau, Y., Coati, A., Guérin, N., Parmigiani, F., and Taleb-Ibrahimi, A., “Fermi surface symmetry and evolution of the electronic structure across the paramagnetic-helimagnetic transition in MnSi/Si(111)”, Phys. Rev. B, vol. 92. American Physical Society, p. 081110, 2015.