Impact of ionic quantum fluctuations on the thermodynamic stability and superconductivity of LaBH8

Francesco Belli and Ion Errea
Physical Review B 106, 134509 (2022)

Switchable chiral transport in charge-ordered kagome metal CsV3Sb5

Chunyu Guo, Carsten Putzke, Sofia Konyzheva, Xiangwei Huang, Martin Gutierrez-Amigo, Ion Errea, Dong Chen, Maia G. Vergniory, Claudia Felser, Mark H. Fischer, Titus Neupert and Philip J. W. Moll
Nature 611, 461 (2022)

Three-dimensional Fermi surfaces from charge order in layered CsV3Sb5

Xiangwei Huang, Chunyu Guo, Carsten Putzke, Martin Gutierrez-Amigo, Yan Sun, Maia G. Vergniory, Ion Errea, Dong Chen, Claudia Felser and Philip J. W. Moll
Physical Review B 106, 064510 (2022)

Transport and optical properties of the chiral semiconductor Ag3AuSe2

Juyeon Won, Soyeun Kim, Martin Gutierrez-Amigo, Simon Bettler, Bumjoo Lee, Jaeseok Son, Tae Won Noh, Ion Errea, Maia G. Vergniory, Peter Abbamonte, Fahad Mahmood and Daniel P. Shoemaker
ZAAC e202200055 (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)

Generation of laser-driven shocks and their use to study simple compounds at high pressure

D. Mancelli
PhD thesis (2021)

Dominant Role of Quantum Anharmonicity in the Stability and Optical Properties of Infinite Linear Acetylenic Carbon Chains

Davide Romanin, Lorenzo Monacelli, Raffaello Bianco, Ion Errea, Francesco Mauri and Matteo Calandra
Journal of Physical Chemistry Letters 12, 10339 (2021)

Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors

Francesco Belli, Trinidad Novoa, J. Contrearas-García and Ion Errea
Nature Communications 12, 5381 (2021)

The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects

Lorenzo Monacelli, Raffaello Bianco, Marco Cherubini, Matteo Calandra, Ion Errea and Francesco Mauri
Journal of Physics: Condensed Matter 33, 363001 (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)

Reflecting laser-driven shocks in diamond in the megabar pressure range

K. Jakubowska, D. Mancelli, R. Benocci, J. Trela, Ion Errea, A. S. Martynenko, P. Neumayer, O. Rosmej, A. Molineri, C. Verona, D. Cannatà, A. Aliverdiev, H. E. Roman and D. Batani
High Power Laser Science and Engineering 9, 010000e3 (2021)

Van der Waals driven anharmonic melting of the 3D charge density wave in VSe2.

Josu Diego, A. H. Said, S. K. Mahatha, Raffaello Bianco, Lorenzo Monacelli, Matteo Calandra, Francesco Mauri, K. Rossnagel, Ion Errea and S. Blanco-Canosa
Nature Communications 12, 598 (2021)

Nanoscale-Confined Terahertz Polaritons in a van der Waals Crystal

Thales V. A. G. de Oliveira, Töbias Norenberg, Gonzalo Álvarez-Pérez, Lukas Wehmeier, Javier Taboada-Gutiérrez, Maximilian Obst, Franz Hempel, Eduardo J. H. Lee, J. Michael Klopf, Ion Errea, Alexey Y. Nikitin, Susanne C. Kehr, Pablo Alonso-González and Lukas M. Eng
Advanced Materials 33, 2005777 (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)

Shock Hugoniot Data for Water up to 5 Mbar Obtained with Quartz Standard at High-Energy Laser Facilities

D. Mancelli, Ion Errea, A. Tentori, O. Turianska, H. Larreur, K. Katagiri, N. Ozaki, N. Kamimura, D. Kamibayashi, K. Ishida, H. Ogura, K. Kawasaki, Y. Maeda, Y. Hironaka, K. Shigemori, K. Batani, G. Schaumann, O. Rosmej, P. Neumayer, B. Zielbauer, A. S. Martynenko, E. D. Filippov, S. Pikuz and D. Batani
Lasers and Particle Beams 2021, 4141522 (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)

Theory of the thickness dependence of the charge density wave transition in 1T-TiTe2

Jianqiang Sky Zhou, Raffaello Bianco, Lorenzo Monacelli, Ion Errea, Francesco Mauri and Matteo Calandra
2D Materials 7, 045032 (2020)

Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe2

Raffaello Bianco, Lorenzo Monacelli, Matteo Calandra, Francesco Mauri and Ion Errea
Physical Review Letters 125, 106101 (2020)

Anharmonicity and Doping Melt the Charge Density Wave in Single-Layer TiSe2

Jianqiang Sky Zhou, Lorenzo Monacelli, Raffaello Bianco, Ion Errea, Francesco Mauri and Matteo Calandra
Nano Letters 20, 4809 (2020)

Infrared Permittivity of the Biaxial van der Waals Semiconductor α-MoO3 from Near- and Far-Field Correlative Studies

Gonzalo Álvarez-Pérez, Thomas G. Folland, Ion Errea, Javier Taboada-Gutiérrez, Jiahua Duan, Javier Martín-Sánchez, Ana I. F. Tresguerres-Mata, Joseph R. Matson, Andrei Bylinkin, Mingze He, Weiliang Ma, Qiaoliang Bao, José Ignacio Martín, Joshua D. Caldwell, Alexey Y. Nikitin and Pablo Alonso-González
Advanced Materials 32, 1908176 (2020)

Broad spectral tuning of ultra-low-loss polaritons in a van der Waals crystal by intercalation.

Javier Taboada-Gutiérrez, Gonzalo Álvarez-Pérez, Jiahua Duan, Weiliang Ma, Kyle Crowley, Iván Prieto, Andrei Bylinkin, Marta Autore, Halyna Volkova, Kenta Kimura, Tsuyoshi Kimura, M.-H. Berger, Shaojuan Li, Qiaoliang Bao, Xuan P. A. Gao, Ion Errea, Alexey Y. Nikitin, Rainer Hillenbrand, Javier Martín-Sánchez and Pablo Alonso-González
Nature Materials 19, 964 (2020)

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)

Anharmonic effects in thermoelectric and 2D materials

Unai Aseginolaza
PhD thesis (2020)

Strong anharmonicity and high thermoelectric efficiency in high-temperature SnS from first principles

Unai Aseginolaza, Raffaello Bianco, Lorenzo Monacelli, Lorenzo Paulatto, Francesco Mauri, Aitor Bergara and Ion Errea
Physical Review B 100, 214307 (2019)

Quantum Enhancement of Charge Density Wave in Monolayer NbS2 in the Two-Dimensional Limit

Raffaello Bianco, Ion Errea, Lorenzo Monacelli, Matteo Calandra and Francesco Mauri
Nano Letters 19, 3098 (2019)

Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe

Unai Aseginolaza, Raffaello Bianco, Lorenzo Monacelli, Lorenzo Paulatto, Matteo Calandra, Francesco Mauri, Aitor Bergara and Ion Errea
Physical Review Letters 122, 075901 (2019)

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)

Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation

Lorenzo Monacelli, Ion Errea, Matteo Calandra and Francesco Mauri
Physical Review B 97, 214101 (2018)

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)

Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles

Guilherme A. S. Ribeiro, Lorenzo Paulatto, Raffaello Bianco, Ion Errea, Francesco Mauri and Matteo Calandra
Physical Review B 97, 014306 (2018)

Hydrogen and lithium under high pressure. Superconductivity and other emerging properties

Miguel Borinaga
PhD thesis (2018)

Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation

Raffaello Bianco, Ion Errea, Lorenzo Paulatto, Matteo Calandra and Francesco Mauri
Physical Review B 96, 014111 (2017)

Dynamical stability of face centered cubic lithium at 25 GPa

Miguel Borinaga, Unai Aseginolaza, Ion Errea and Aitor Bergara
JJAP Conf. Proc. 6, 011103 (2017)

Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides

Ruidy Nemausat, Christel Gervais, Christian Brouder, Nicolas Trcera, Amélie Bordage, Cristina Coelho-Diogo, Pierre Florian, Aydar Rakhmatullin, Ion Errea, Lorenzo Paulatto, Michele Lazzeri and Delphine Cabaret
Physical Chemistry Chemical Physics 19, 6246 (2017)

Anharmonicity and the isotope effect in superconducting lithium at high pressures: A first-principles approach

Miguel Borinaga, Unai Aseginolaza, Ion Errea, Matteo Calandra, Francesco Mauri and Aitor Bergara
Physical Review B (2017)

Approaching the strongly anharmonic limit with ab initio calculations of materials’ vibrational properties – a colloquium

Ion Errea
European Physical Journal B 89, 237 (2016)

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)

Phonon effects on x-ray absorption and nuclear magnetic resonances spectroscopie

Ruidy Nemausat, Delphine Cabaret, Christel Gervais, Christian Brouder, Nicolas Trcera, Amélie Bordage, Ion Errea and Francesco Mauri
Physical Review B 92, 144310 (2015)

Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe2 under pressure

Maxime Leroux, Ion Errea, Mathieu Le Tacon, Sofia-Michaela Souliou, Gaston Gabarino, Laurent Cario, Alexey Bosak, Francesco Mauri, Matteo Calandra and Pierre Rodière
Physical Review B 92, 140303(R) (2015)

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)

First-principles calculations of phonon frequencies, lifetimes, and spectral functions from weak to strong anharmonicity: The example of palladium hydrides

Lorenzo Paulatto, Ion Errea, Matteo Calandra and Francesco Mauri
Physical Review B 91, 054304 (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)

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations

Zamaan Raza, Ion Errea, Artem R. Oganov and A. Marco Saitta
Scientific Reports 4, 5889 (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)

Enhanced Anharmonicity Under Pressure

Ion Errea, Bruno Rousseau and Aitor Bergara
Journal of Physics: Conference Series 377, 012060 (2012)

Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles

Ion Errea, Bruno Rousseau and Aitor Bergara
Journal of Applied Physics 111, 112604 (2012)

Optical properties of calcium under pressure from first-principles calculations

Ion Errea, Bruno Rousseau and Asier Eiguren
Physical Review B 86, 085106 (2012)

Presioak elementu eta aleazio sinpleetan induzitutako konplexutasunaren azterketa lehen-printzipioetan oinarritutako kalkuluen bidez

Ion Errea
PhD thesis (2011)

Pressure induced complexity in simple elements and alloys from first-principles calculations

Ion Errea
PhD thesis (2011)

Anharmonic Stabilization of the High-Pressure Simple Cubic Phase of Calcium.

Ion Errea, Bruno Rousseau and Aitor Bergara
Physical Review Letters 106, 165501 (2010)

Electronic collective excitations in compressed lithium from ab initio calculations: Importance and anisotropy of local-field effects at large momenta.

Ion Errea, A. Rodriguez-Prieto, Bruno Rousseau, V. M. Silkin and Aitor Bergara
Physical Review B 81, 205105 (2010)

Exotic behavior and crystal structures of calcium under pressure

Artem R. Oganov, Yanming Ma, Ying Xu, Ion Errea, Aitor Bergara and Andriy O. Lyakhov
Proc. Natl. Acad. Sci. USA 107, 7646 (2010)

Kohn anomalies and enhanced superconductivity in simple systems under pressure: Insights from the nearly free electron model

Bruno Rousseau, Ion Errea and Aitor Bergara
Journal of Physics and Chemistry of Solids 71, 1159 (2010)

Ab initio study of superconducting hexagonal Be2Li under pressure

Ion Errea, Miguel Martinez-Canales and Aitor Bergara
Physical Review B 78, 172501 (2008)

Fermi surface nesting and phonon instabilities in simple cubic calcium.

Ion Errea, Miguel Martinez-Canales, Artem R. Oganov and Aitor Bergara
High Pressure Research 28, 443 (2008)