Theoretical Spectroscopy Group

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.

I. Iagupov, “Numerical design of meta-materials for photovoltaic applications”, Unversité Paris-Saclay, Palaiseau, 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.

F. Sottile, “TDDFT, Linear Response and the DP code”. EUSPEC Training School on Spectroscopy Codes, Sofia (Bulgaria), 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.

L. Prussel, “Ab-initio description of optical nonlinear properties of semiconductors in the presence of an electrostatic field”, Ecole Polytechnique, Palaiseau, 2017.

F. Sottile, “Bethe-Salpeter equation approach in solids”. CECAM Theoretical Chemistry for Extended Systems, Toulouse (France), 2017.

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.

F. Sottile, “Introduction to Green functions methods for valence spectroscopies”. Workshop on Common problems and solutions in core and valence theoretical spectroscopies, Paris (France), 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.

F. Sottile, “Spectroscopy beyond GW”. EUSpec meeting: Ab-initio correlated methods in spectroscopy, 2017.

F. Sottile, “Time Dependent Density Functional Theory”. NSF/CECAM school on Computational Material Science, Lausanne (Switzerland), 2017.

M. Tzavala, “Towards an improved description of spectroscopies for materials with localized electrons: Effective potentials and interactions”, Université Paris-Saclay, 2017.

F. Sottile, “Ab initio approaches to spectroscopies”. SOLEIL, Theory Days, Gif-sur-Yvette (France), 2016.

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.