Theoretical Spectroscopy Group

S. Chauvin, “Cobaltates in the high-doping regime: Insights from first-principles calculations and extended dynamical mean-field theory”, Université Paris-Saclay, 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. Sottile, “Exciton dispersion and beyond”. 26 Condensed Matter Division of the EPS, Groningen (Netherlands), 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.

L. Reining, “Linear Response and More: the Bethe-Salpeter Equation”, in Quantum Materials: Experiments and Theory: Modeling and Simulation Vol. 6, E. Pavarini, Koch, E., van den Brink, J., and Sawatzky, G., Eds. Forschungszentrum Jülich, 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. Sottile, “Signatures of correlation: from excitons to satellites”. Workshop on Next Generation Quantum Materials, Sao Paulo (Brasil), 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.

J. S. Zhou, “Theory of electron spectroscopy beyond the state-of-the-art. An improved description of fermion-plasmon coupling in Green's function calculations”, Ecole Polytechnique, 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.

F. Sottile, “Ab initio description of exction dispersion”. Total Energy 2015, Trieste, Italy, 2015.

N. Tancogne-Dejean, “Ab initio description of second-harmonic generation from crystal surfaces”, Ecole Polytechnique, 2015.

A. A. Shukri, “Ab initio electronic stopping power in materials”, Ecole Polytechnique, 2015.

N. Tancogne-Dejean and Veniard, V., “Ab initio local field effects for surface second-harmonic generation”. DPG Sping Meeting, 2015.

I. Reshetnyak, “Computing optical properties and photo-emission spectra : a new starting point”, Ecole Polytechnique, 2015.

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.