Amsler, M. ., Flores-Livas, J. A., Lehtovaara, L. ., Balima, F. ., Ghasemi, S. ., Machon, D. ., … Marques, M. . (2012). Crystal structure of cold compressed graphite. Phys. Rev. Lett., 108, 065501. https://doi.org/10.1103/PhysRevLett.108.065501
Silvana
Botti
Gutay, L. ., Regesch, D. ., Larsen, J. ., Aida, Y. ., Depredurand, V. ., Redinger, A. ., … Siebentritt, S. . (2012). Feedback mechanism for the stability of the band gap of CuInSe2. Phys. Rev. B, 86, 045216. https://doi.org/10.1103/PhysRevB.86.045216
Botti, S. ., Kammerlander, D. ., & Marques, M. . (2011). Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods. Appl. Phys. Lett., 98, 241915. https://doi.org/10.1063/1.3600060
Marques, M. ., Vidal, J. ., Oliveira, M. ., Reining, L. ., & Botti, S. . (2011). Density-based mixing parameter for hybrid functionals. Phys. Rev. B, 83, 035119. https://doi.org/10.1103/PhysRevB.83.035119 (Original work published 2024)
Flores-Livas, J. A., Debord, R. ., Botti, S. ., San Miguel, A. ., Marques, M. ., & Pailhes, S. . (2011). Enhancing the superconducting transition temperature of BaSi2 by structural tuning. Phys. Rev. Lett., 106, 087002. https://doi.org/10.1103/PhysRevLett.106.087002
Aguilera, I. ., Vidal, J. ., Wahnón, P. ., Reining, L. ., & Botti, S. . (2011). First-principles study of the band structure and optical absorption of CuGaS2. Phys. Rev. B, 84, 085145. https://doi.org/10.1103/PhysRevB.84.085145
Oliveira, M. ., Botti, S. ., & Marques, M. . (2011). Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations. Phys. Chem. Chem. Phys., 13, 15055. https://doi.org/10.1039/c1cp20719a
Flores-Livas, J. A., Debord, R. ., Botti, S. ., San Miguel, A. ., Pailhes, S. ., & Marques, M. . (2011). Superconductivity in Layered Binary Silicides: A density functional theory study. Phys. Rev. B, 84, 184503. https://doi.org/10.1103/PhysRevB.84.184503
Trani, F. ., Vidal, J. ., Botti, S. ., & Marques, M. . (2010). Band structures of delafossite transparent conductive oxides from a self-consistent GW approach. Phys. Rev. B, 82, 085115. https://doi.org/10.1103/PhysRevB.82.085115
Vidal, J. ., Trani, F. ., Bruneval, F. ., Marques, M. ., & Botti, S. . (2010). Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides. Phys. Rev. Lett., 104, 136401. https://doi.org/10.1103/PhysRevLett.104.136401