Publications [LaTeX]

Papers

International Journals

1 - Rare-earth magnetic nitride perovskites
J.A. Flores-Livas, R. Sarmiento-Pérez, S. Botti, S. Goedecker, and M.A.L. Marques
J. Phys.: Materials 2, 025003 (2019)

2 - Computational acceleration of prospective dopant discovery in cuprous iodide
M. Graužinyte, S. Botti, M.A.L. Marques, S. Goedecker, and J.A. Flores-Livas
Phys. Chem. Chem. Phys. (inside front cover, selected as a 2019 HOT PCCP Article) 21, 18839-18849 (2019)

3 - Emergence of superconductivity in doped H₂O ice at high pressure
J.A. Flores-Livas, A. Sanna, M. Grauzinyte, A. Davydov, S. Goedecker, and M.A.L. Marques
Sci. Rep. 7, 6825 (2017)

4 - Investigation of new phases in the Ba–Si phase diagram under high pressure using ab initio structural search
J. Shi, W. Cui, J.A. Flores-Livas, A. San-Miguel, S. Botti, and M.A.L. Marques
Phys. Chem. Chem. Phys. 18, 8108-8114 (2016)

5 - Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach”
M. Amsler, J.A. Flores-Livas, S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 112, 199801 (2014)

6 - Carbon structures and defect-planes in diamond at high pressure
S. Botti, M. Amsler, J.A. Flores-Livas, P. Ceria, S. Goedecker, and M.A.L. Marques
Phys. Rev. B 88, 014102 (2013)

7 - p-doping in expanded phases of ZnO: An ab initio study
D. Hapiuk, M.A.L. Marques, P. Melinon, J.A. Flores-Livas, S. Botti, and B. Masenelli
Phys. Rev. Lett. 108, 115903 (2012)

8 - Raman activity of sp3 carbon allotropes under pressure: A density functional theory study
J.A. Flores-Livas, L. Lehtovaara, M. Amsler, S. Goedecker, S. Pailhès, S. Botti, A. San Miguel, and M.A.L. Marques
Phys. Rev. B 85, 155428 (2012)

9 - High pressure structures of disilane and their superconducting properties
J.A. Flores-Livas, M. Amsler, T.J. Lenosky, L. Lehtovaara, S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 108, 117004 (2012)

10 - The crystal structure of cold compressed graphite
M. Amsler, J.A. Flores-Livas, L. Lehtovaara, F. Balima, S.A. Ghasemi, D. Machon, S. Pailhès, A. Willand, D. Caliste, S. Botti, A. San Miguel, S. Goedecker, and M.A.L. Marques
Phys. Rev. Lett. 108, 065501 (2012)

11 - Novel structural motifs in low energy phases of LiAlH₄
M. Amsler, J.A. Flores-Livas, T.D. Huan. S. Botti, M.A.L. Marques, and S. Goedecker
Phys. Rev. Lett. 108, 205505 (2012)

12 - Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
S. Botti, J.A. Flores-Livas, M. Amsler, S. Goedecker, and M.A.L. Marques
Phys. Rev. B (Rapid Comm.) 86, 121204(R) (2012)

13 - Enhancing the superconducting transition temperature of BaSi₂ by structural tuning
J.A. Flores-Livas, R. Debord, S. Botti, A. San Miguel, M.A.L. Marques, and S. Pailhès
Phys. Rev. Lett. 106, 087002 (2011)

14 - Superconductivity in Layered Binary Silicides: A density functional theory study
J.A. Flores-Livas, R. Debord, S. Botti, A. San Miguel, S. Pailhès, and M.A.L. Marques
Phys. Rev. B 84, 184503 (2011)