Molecularity: A fast and efficient criterion for probing superconductivity
Matías E. di Mauro, Benoît Braïda, Ion Errea, Trinidad Novoa and J. Contreras-García
Physical Review B 110, 174515 (2024)
Searching Materials Space for Hydride Superconductors at Ambient Pressure
Tiago F. T. Cerqueira, Yue-Wen Fang, Ion Errea, Antonio Sanna and Miguel A. L. Marques
Advanced Functional Materials, 2404043 (2024)
Large impact of phonon lineshapes on the superconductivity of solid hydrogen
Đorđe Dangić, Lorenzo Monacelli, Raffaello Bianco, Francesco Mauri and Ion Errea
Communications Physics 7, 150 (2024)
Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N-H system
Yue-Wen Fang, Đorđe Dangić and Ion Errea
Communications Materials 5, 61 (2024)
Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds
Antonio Sanna, Tiago F. T. Cerqueira, Yue-Wen Fang, Ion Errea, Alfred Ludwig and Miguel A. L. Marques
npj Computational Materials 10, 44 (2024)
Ab initio study of the structural, vibrational, and optical properties of potential parent structures of nitrogen-doped lutetium hydride
Đorđe Dangić, Peio Garcia-Goiricelaya, Yue-Wen Fang, Julen Ibañez-Azpiroz and Ion Errea
Physical Review B 108, 064517 (2023)
Ab initio study of hydrogen based superconducting compounds at ambient pressure
Antonella Meninno
PhD thesis (2023)
Quantum structural fluxion in superconducting lanthanum polyhydride
Hui Wang, Pascal T. Salzbrenner, Ion Errea, Feng Peng, Ziheng Lu, Hanyu Liu, Li Zhu, Chris J. Pickard and Yansun Yao
Nature Communications 14, 1674 (2023)
Ab initio study of metastable occupation of tetrahedral sites in palladium hydrides and its impact on superconductivity
Antonella Meninno and Ion Errea
Physical Review B 107, 024504 (2023)
Characterization of hydrogen based superconductors from first principles
Francesco Belli
PhD thesis (2022)
Absence of sizable superconductivity in hydrogen boride: A first-principles study
Antonella Meninno and Ion Errea
Physical Review B 106, 214508 (2022)
Impact of ionic quantum fluctuations on the thermodynamic stability and superconductivity of LaBH8
Francesco Belli and Ion Errea
Physical Review B 106, 134509 (2022)
Superconducting hydrides on a quantum landscape
Ion Errea
Journal of Physics: Condensed Matter 34, 231501 (2022)
The 2021 room-temperature superconductivity roadmap
Lilia Boeri, Richard Hennig, Peter Hirschfeld, Gianni Profeta, Antonio Sanna, Eva Zurek, Warren E. Pickett, Maximilian Amsler, Ranga P. Dias, Mikhail I. Eremets, Christoph Heil, Russell J. Hemley, Hanyu Liu, Yanming Ma, Carlo Pierleoni, Aleksey N. Kolmogorov, Nikita Rybin, Dmitry Novoselov, Vladimir Anisimov, Artem R. Oganov, Chris J. Pickard, Tiange Bi, Ryotaro Arita, Ion Errea, Camilla Pellegrini, Ryan Requist, E. K. U. Gross, Elena Roxana Margine, Stephen R. Xie, Yundi Quan, Ajinkya Hire, Laura Fanfarillo, G. R. Stewart, J. J. Hamlin, Valentin Stanev, Renato S. Gonnelli, Erik Piatti, Davide Romanin, Dario Daghero and Roser Valenti
Journal of Physics: Condensed Matter 34, 183002 (2022)
Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors
Francesco Belli, Trinidad Novoa, J. Contreras-García and Ion Errea
Nature Communications 12, 5381 (2021)
Strong anharmonic and quantum effects in Pm-3n AlH3 under high pressure: A first-principles study
Pugeng Hou, Francesco Belli, Raffaello Bianco and Ion Errea
Physical Review B 103, 134305 (2021)
Anomalous High-Temperature Superconductivity in YH6
Ivan A. Troyan, Dmitrii V. Semenok, Alexander G. Kvashnin, Andrey V. Sadakov, Oleg A. Sobolevskiy, Vladimir M. Pudalov, Anna G. Ivanova, Vitali B. Prakapenka, Eran Greenberg, Alexander G. Gavriliuk, Igor S. Lyubutin, Viktor V. Struzhkin, Aitor Bergara, Ion Errea, Raffaello Bianco, Matteo Calandra, Francesco Mauri, Lorenzo Monacelli, Ryosuke Akashi and Artem R. Oganov
Advanced Materials 33, 2006832 (2021)
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations
Lorenzo Monacelli, Ion Errea, Matteo Calandra and Francesco Mauri
Nature Physics 17, 63 (2021)
Quantum anharmonic enhancement of superconductivity in P63/mmc ScH6 at high pressures: A first-principles study
Pugeng Hou, Francesco Belli, Raffaello Bianco and Ion Errea
Journal of Applied Physics 130, 175902 (2021)
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Ion Errea, Francesco Belli, Lorenzo Monacelli, Antonio Sanna, Takashi Koretsune, Terumasa Tadano, Raffaello Bianco, Matteo Calandra, Ryotaro Arita, Francesco Mauri and José A. Flores-Livas
Nature 578, 66 (2020)
Superconducting Hydrides Under Pressure
Chris J. Pickard, Ion Errea and Mikhail I. Eremets
Annual Review of Condensed Matter Physics 11, 57 (2020)
Ab initio study of the LiH phase diagram at extreme pressures and temperatures.
Sananda Biswas, Ion Errea, Matteo Calandra, Francesco Mauri and Sandro Scandolo
Physical Review B 99, 024106 (2019)
Strong Electron-Phonon and Band Structure Effects in the Optical Properties of High Pressure Metallic Hydrogen
Miguel Borinaga, Julen Ibañez-Azpiroz, Aitor Bergara and Ion Errea
Physical Review Letters 120, 057402 (2018)
High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects
Raffaello Bianco, Ion Errea, Matteo Calandra and Francesco Mauri
Physical Review B 97, 214101 (2018)
Hydrogen and lithium under high pressure. Superconductivity and other emerging properties
Miguel Borinaga
PhD thesis (2018)
Anharmonic enhancement of superconductivity in metallic molecular Cmca-4 hydrogen at high pressure: a first-principles study
Miguel Borinaga, P. Riego, A. Leonardo, Matteo Calandra, Francesco Mauri, Aitor Bergara and Ion Errea
Journal of Physics: Condensed Matter 28, 494001 (2016)
Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability
Miguel Borinaga, Ion Errea, Matteo Calandra, Francesco Mauri and Aitor Bergara
Physical Review B 93, 174308 (2016)
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
Ion Errea, Matteo Calandra, Chris J. Pickard, Joseph R. Nelson, Richard J. Needs, Yinwei Li, Hanyu Liu, Yunwei Zhang, Yanming Ma and Francesco Mauri
Nature 532, 81 (2016)
Dissociation products and structures of solid H2S at strong compression
Yinwei Li, Lin Wang, Hanyu Liu, Yunwei Zhang, Jian Hao, Chris J. Pickard, Joseph R. Nelson, Richard J. Needs, Wentao Li, Yanwei Huang, Ion Errea, Matteo Calandra, Francesco Mauri and Yanming Ma
Physical Review B 93, 020103(R) (2016)
High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor
Ion Errea, Matteo Calandra, Chris J. Pickard, Joseph R. Nelson, Richard J. Needs, Yinwei Li, Hanyu Liu, Yunwei Zhang, Yanming Ma and Francesco Mauri
Physical Review Letters 114, 157004 (2015)
Huge anharmonic effects in superconducting hydrides and transition metal dichalcogenides
Ion Errea, Matteo Calandra and Francesco Mauri
Physica Status Solidi (b) 251, 2556 (2014)
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
Ion Errea, Matteo Calandra and Francesco Mauri
Physical Review B 89, 064302 (2014)
First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds
Ion Errea, Matteo Calandra and Francesco Mauri
Physical Review Letters 111, 177002 (2013)
