Publications

  1. Ab initio Eliashberg theory: Making genuine predictions of superconducting features. Antonio Sana, José A. Flores-Livas, Arkady Davydov, Gianni Profeta, Kay Dewhurst, Sangeeta Sharma and E. K. U. GrossSubmitted April 2017.
  2. Metastable phases of phosphorus under pressure and the interplay between structure and superconductivity. José A. Flores-Livas, Antonio Sana, Alexander P. Drozdov, Lilia Boeri, Gianni Profeta, Mikhail Eremets and Stefan Goedecker. Accepted in Phys. Rev. Materials 2017.
  3. Emergence of superconductivity in doped H_2O ice at high pressure. José A. Flores-Livas, Antonio Sanna, Migle G., Arkadiy Davydov, Stefan Goedecker and Miguel A.L. Marques. (arxiv) Accepted in Scientific Reports (Nature) June 2017.
  4. L1_0 stacked binaries as candidates for hard-magnets. Yu-ichiro Matsushita, Galia Madjarova, Jose A. Flores-Livas, John K. Dewhurst, Claudia Felser, Sangeeta Sharma and E. K. U. Gross. Accepted in Annalen der Physik 2017.
  5. The elephant in the room of density functional theory calculations. Stig Rune Jensen, Santanu Saha, José A. Flores-Livas, Volker Blum, Stefan Goedecker and Luca Frediani. (arxiv) J. Phys. Chem. Lett., 2017, 8 (7), pp 1449–1457, March 14th 2017.
  6. Structural classification in accelerated material design approaches: application to low enthalpy high pressure phases of SH_3 and SeH_3. José A. Flores-Livas, Antonio Sanna and Stefan Goedecker. Novel Superconducting Materials. Volume 3, Issue 1, Pages 6–13, Published online 22 Feb 2017.
  7. Reproducibility in density functional theory calculations of solids. Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Volker Blum, Damien Caliste, Ivano E. Castelli, Stewart J. Clark, Andrea Dal Corso, Stefano de Gironcoli, Thierry Deutsch, John Kay Dewhurst, Igor Di Marco, Claudia Draxl, Marcin Dułak, Olle Eriksson, José A. Flores-Livas, Kevin F. Garrity, Luigi Genovese, Paolo Giannozzi, Matteo Giantomassi, Stefan Goedecker, Xavier Gonze, Oscar Grånäs, E. K. U. Gross, Andris Gulans, François Gygi, D. R. Hamann, Phil J. Hasnip, N. A. W. Holzwarth, Diana Iuşan, Dominik B. Jochym, François Jollet, Daniel Jones, Georg Kresse, Klaus Koepernik, Emine Küçükbenli, Yaroslav O. Kvashnin, Inka L. M. Locht, Sven Lubeck, Martijn Marsman, Nicola Marzari, Ulrike Nitzsche, Lars Nordström, Taisuke Ozaki, Lorenzo Paulatto, Chris J. Pickard, Ward Poelmans, Matt I. J. Probert, Keith Refson, Manuel Richter, Gian-Marco Rignanese, Santanu Saha, Matthias Scheffler, Martin Schlipf, Karlheinz Schwarz, Sangeeta Sharma, Francesca Tavazza, Patrik Thunström, Alexandre Tkatchenko, Marc Torrent, David Vanderbilt, Michiel J. van Setten, Veronique Van Speybroeck, John M. Wills, Jonathan R. Yates, Guo-Xu Zhang and Stefaan Cottenier. Science 351, 6280 – Published online 24 Mars 2016.
  8. High temperature superconductivity in sulfur and selenium hydrides at high pressure. José A. Flores-Livas, Antonio Sanna and E. K. U. Gross. Eur. Phys. J. B,  Published online 07 March 2016 (arXiv).

  9. New phases in the Ba-Si phase diagram under high pressure by ab initio structural search. Jingming Shi, Wenwen Cui, José A. Flores-Livas, Alfonso San-Miguel, Silvana Botti and Miguel A.L. Marques. Phys. Chem. Chem. Phys.,  Published online 15 Feb 2016.
  10. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure. José A. Flores-Livas, Maximilian Amsler, Christoph Heil, Antonio Sanna, Lilia Boeri, Gianni Profeta, Chris Wolverton, Stefan Goedecker, E. K. U. Gross. Editor’s Suggestion. Phys. Rev. B 93, 020508(R) – Published 26 January 2016 arXiv.

  11. Superconductivity in an expanded phase of ZnO: an ab initio study. D. Hapiuk, M. A. L. Marques, P. Mélinon, S. Botti, B. Masenelli and José A. Flores-Livas. New J. Phys. 17 043034 – Published 21 April  2015.
  12. José A. Flores-Livas and Antonio Sanna. Superconductivity in intercalated group-IV honeycomb structures. Phys. Rev. B 91, 054508 – Published 9 February 2015.
  13. Maximilian Amsler, José A. Flores-Livas, Silvana Botti, Miguel A. L. Marques, and Stefan Goedecker. Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach” Phys. Rev. Lett. 112, 199801 (2014) – Published 13 May 2014.
  14. Maximilian Amsler, José A. Flores-Livas, Miguel A.L. Marques, Silvana Botti, Stefan Goedecker. Prediction of a novel monoclinic carbon allotrope. The European Physical Journal B, September 2013.
  15. Silvana Botti, Maximilian Amsler, José A. Flores-Livas, Paul Ceria, Stefan Goedecker, and Miguel A. L. Marques.  Carbon structures and defect planes in diamond at high pressure. Phys. Rev. B 88, 014102 – Published 8 July 2013.
  16. Silvana Botti, José A. Flores-Livas, Maximilian Amsler, Stefan Goedecker, and Miguel A. L. Marques. Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications. Phys. Rev. B 86, 121204(Rapid. Comm.) – Published 27 September 2012.
  17. Maximilian Amsler, José A. Flores-Livas, Tran Doan Huan, Silvana Botti, Miguel A. L. Marques, and Stefan Goedecker. Novel Structural Motifs in Low Energy Phases of LiAlH_4. Phys. Rev. Lett. 108, 205505 – Published 16 May 2012.
  18. José A. Flores-Livas, Lauri Lehtovaara, Maximilian Amsler, Stefan Goedecker, Stéphane Pailhès, Silvana Botti, Alfonso San Miguel, and Miguel A. L. Marques. Raman activity of sp^3 carbon allotropes under pressure: A density functional theory study. Phys. Rev. B 85, 155428 – Published 13 April 2012.
  19. D. Hapiuk, Miguel A. L. Marques, P. Melinon, José A. Flores-Livas, Silvana Botti, and B. Masenelli. p-Doping in Expanded Phases of ZnO: An Ab Initio Study. Phys. Rev. Lett. 108, 115903 – Published 16 March 2012.
  20. José A. Flores-Livas, Maximilian Amsler, Thomas J. Lenosky, Lauri Lehtovaara, Silvana Botti, Miguel A. L. Marques, and Stefan Goedecker. High-Pressure Structures of Disilane and Their Superconducting Properties. Phys. Rev. Lett. 108, 117004 – Published 14 March 2012.
  21. Maximilian Amsler, José A. Flores-Livas, Lauri Lehtovaara, Felix Balima, S. Alireza Ghasemi, Denis Machon, Stéphane Pailhès, Alexander Willand, Damien Caliste, Silvana Botti, Alfonso San Miguel, Stefan Goedecker, and Miguel A. L. Marques. Crystal Structure of Cold Compressed Graphite. Phys. Rev. Lett. 108, 065501 – Published 7 February 2012.
  22. José A. Flores-Livas, Régis Debord, Silvana Botti, Alfonso San Miguel, Stéphane Pailhès, and Miguel A. L. Marques. Superconductivity in layered binary silicides: A density functional theory study. Phys. Rev. B 84, 184503 – Published 4 November 2011.
  23. José A. Flores-Livas, Régis Debord, Silvana Botti, Alfonso San Miguel, Miguel A. L. Marques, and Stéphane Pailhès. Enhancing the Superconducting Transition Temperature of BaSi_2 by Structural Tuning. Phys. Rev. Lett. 106, 087002 – Published 22 February 2011.
  24. José. A. Flores-Livas, J. L. Peña, E. Martínez Guerra, and E. Perez-Tijerina. Primeras etapas en el crecimiento de películas delgadas de teloruro de cadmio (CdTe) por sublimación en espacio cerrado. Ciencia UANL 1405-9177, vol. XIV, p. 46, 2011.
  25. E. Martínez Guerra, José. A. Flores-Livas, and E. Perez-Tijerina, Deposito de películas ultradelgadas de ZnO por ALD: Atomic layer deposition. Ciencia UANL 1405-9177, vol. XIII, p. 247, 2010.