Theoretical Spectroscopy Group

N. Gauriot, Véniard, V., and Luppi, E., “Long-range corrected exchange-correlation kernels to describe excitons in second-harmonic generation”, The Journal of Chemical Physics, vol. 151. 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.

J. Sky Zhou, Gatti, M., Kas, J. J., Rehr, J. J., and Reining, L., “Cumulant Green's function calculations of plasmon satellites in bulk sodium: Influence of screening and the crystal environment”, Phys. Rev. B, vol. 97. 2018.

M. J. Mohn, Hambach, R., Wachsmuth, P., Giorgetti, C., and Kaiser, U., “Dielectric properties of graphene/MoS2 heterostructures from ab initio calculations and electron energy-loss experiments”, Phys. Rev. B , vol. 97. 2018.

A. Seidu, Marini, A., and Gatti, M., “Dynamical correlation effects in a weakly correlated material: Inelastic x-ray scattering and photoemission spectra of beryllium”, Phys. Rev. B, vol. 97. American Physical Society, p. 125144, 2018.

V. Balédent, Cerqueira, T. T. F., Sarmiento-Pérez, R., Shukla, A., Bellin, C., Marsi, M., Itié, J. - P., Gatti, M., Marques, M. A. L., Botti, S., and Rueff, J. - P., “High-pressure phases of $\mathrmVO_2$ from the combination of Raman scattering and ab initio structural search”, Phys. Rev. B, vol. 97. 2018.

F. Pressacco, Uhlíř, V., Gatti, M., Nicolaou, A., Bendounan, A., Arregi, J. Ander, Patel, S. K. K., Fullerton, E. E., Krizmancic, D., and Sirotti, F., “Laser induced phase transition in epitaxial FeRh layers studied by pump-probe valence band photoemission”, Structural Dynamics, vol. 5. p. 034501, 2018.

L. Prussel and Veniard, V., “Linear electro-optic effect in semiconductors: Ab initio description of the electronic contribution”, Phys. Rev. B, vol. 97. 2018.

M. Panholzer, Gatti, M., and Reining, L., “Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach”, Phys. Rev. Lett., vol. 120. American Physical Society, p. 166402, 2018.

A. Tararan, Di Sabatino, S., Gatti, M., Taniguchi, T., Watanabe, K., Reining, L., Tizei, L. H. G., Kociak, M., and Zobelli, A., “Optical gap and optically active intragap defects in cubic BN”, Phys. Rev. B, vol. 98. American Physical Society, p. 094106, 2018.

M. Labeye, Zapata, F., Coccia, E., Veniard, V., ‡ Toulouse, J., Caillat, J., Taïeb, R., and Luppi, E., “Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H_2^+”, J. Chem. Theory Comput., vol. 14. 2018.

F. Borgatti, Berger, J. A., Céolin, D., Zhou, J. Sky, Kas, J. J., Guzzo, M., McConville, C. F., Offi, F., Panaccione, G., Regoutz, A., Payne, D. J., Rueff, J. - P., Bierwagen, O., White, M. E., Speck, J. S., Gatti, M., and Egdell, R. G., “Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of $n$-doped $\mathrmSnO_2$”, Phys. Rev. B, vol. 97. American Physical Society, p. 155102, 2018.

M. Vanzini, Reining, L., and Gatti, M., “Spectroscopy of the Hubbard dimer: the spectral potential”, The European Physical Journal B, vol. 91. p. 192, 2018.

Z. Chen, Giorgetti, C., Sjakste, J., Cabouat, R., Veniard, V., Zhang, Z., Taleb-Ibrahimi, A., Papalazarou, E., Marsi, M., Shukla, A., Peretti, J., and Perfetti, L., “Ultrafast electron dynamics reveal the high potential of InSe for hot-carrier optoelectronics”, Phys. rev. B, vol. 97. 2018.

P. Cudazzo and Gatti, M., “Collective charge excitations of the two-dimensional electride $\mathrmCa_2\mathrmN$”, Phys. Rev. B, vol. 96. 2017.

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.

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.