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Livres
Articles (42)
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First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds

Errea, Ion, Calandra, Matteo, Mauri, Francesco

Journal:

Physical Review Letters

Année:

2013

Langue:

english

Fichier:

PDF, 711 KB

english, 2013

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

Paulatto, Lorenzo, Errea, Ion, Calandra, Matteo, Mauri, Francesco

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2015

High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor

Errea, Ion, Calandra, Matteo, Pickard, Chris J., Nelson, Joseph, Needs, Richard J., Li, Yinwei, Liu, Hanyu, Zhang, Yunwei, Ma, Yanming, Mauri, Francesco

Journal:

Physical Review Letters

Année:

2015

Langue:

english

Fichier:

PDF, 392 KB

english, 2015

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

Ribeiro, Guilherme A. S., Paulatto, Lorenzo, Bianco, Raffaello, Errea, Ion, Mauri, Francesco, Calandra, Matteo

Journal:

Physical Review B

Année:

2018

Langue:

english

Fichier:

PDF, 2.53 MB

english, 2018

Superconducting Hydrides Under Pressure

Pickard, Chris J., Errea, Ion, Eremets, Mikhail I.

Journal:

Annual Review of Condensed Matter Physics

Année:

2020

Langue:

english

Fichier:

PDF, 2.81 MB

english, 2020

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

Bruno Rousseau, Ion Errea, Aitor Bergara

Journal:

Journal of Physics and Chemistry of Solids

Année:

2010

Langue:

english

Fichier:

PDF, 396 KB

english, 2010

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

Errea, Ion, Rousseau, Bruno, Bergara, Aitor

Journal:

Journal of Applied Physics

Année:

2012

Langue:

english

Fichier:

PDF, 844 KB

english, 2012

Optical properties of calcium under pressure from first-principles calculations

Errea, Ion, Rousseau, Bruno, Eiguren, Asier, Bergara, Aitor

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2012

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

Errea, Ion, Rodriguez-Prieto, A., Rousseau, Bruno, Silkin, V. M., Bergara, Aitor

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 492 KB

english, 2010

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

Errea, Ion, Rousseau, Bruno, Bergara, Aitor

Journal:

Physical Review Letters

Année:

2011

Langue:

english

Fichier:

PDF, 298 KB

english, 2011

Fermi surface nesting and phonon instabilities in simple cubic calcium

Errea, Ion, Martinez-Canales, Miguel, Oganov, Artem R., Bergara, Aitor

Journal:

High Pressure Research

Année:

2008

Langue:

english

Fichier:

PDF, 281 KB

english, 2008

Huge anharmonic effects in superconducting hydrides and transition metal dichalcogenides

Errea, Ion, Calandra, Matteo, Mauri, Francesco

Journal:

physica status solidi (b)

Année:

2014

Langue:

english

Fichier:

PDF, 801 KB

english, 2014

under pressure

Errea, Ion, Martinez-Canales, Miguel, Bergara, Aitor

Journal:

Physical Review B

Année:

2008

Langue:

english

Fichier:

PDF, 540 KB

english, 2008

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

Raza, Zamaan, Errea, Ion, Oganov, Artem R., Saitta, A. Marco

Journal:

Scientific Reports

Année:

2014

Langue:

english

Fichier:

PDF, 2.06 MB

english, 2014

Enhanced Anharmonicity Under Pressure

Errea, Ion, Rousseau, Bruno, Bergara, Aitor

Journal:

Journal of Physics Conference Series

Année:

2012

Langue:

english

Fichier:

PDF, 633 KB

english, 2012

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system

Errea, Ion, Calandra, Matteo, Pickard, Chris J., Nelson, Joseph R., Needs, Richard J., Li, Yinwei, Liu, Hanyu, Zhang, Yunwei, Ma, Yanming, Mauri, Francesco

Journal:

Nature

Année:

2016

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2016

Exotic behavior and crystal structures of calcium under pressure

Artem R. Oganov, Yanming Ma, Ying Xu, Ion Errea, Aitor Bergara, Andriy O. Lyakhov and Thomas J. Ahrens

Journal:

Proceedings of the National Academy of Sciences

Année:

2010

Langue:

english

Fichier:

PDF, 1.57 MB

english, 2010

Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies

Nemausat, Ruidy, Cabaret, Delphine, Gervais, Christel, Brouder, Christian, Trcera, Nicolas, Bordage, Amélie, Errea, Ion, Mauri, Francesco

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2015

under pressure

Leroux, Maxime, Errea, Ion, Le Tacon, Mathieu, Souliou, Sofia-Michaela, Garbarino, Gaston, Cario, Laurent, Bosak, Alexey, Mauri, Francesco, Calandra, Matteo, Rodière, Pierre

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 820 KB

english, 2015

at strong compression

Li, Yinwei, Wang, Lin, Liu, Hanyu, Zhang, Yunwei, Hao, Jian, Pickard, Chris J., Nelson, Joseph R., Needs, Richard J., Li, Wentao, Huang, Yanwei, Errea, Ion, Calandra, Matteo, Mauri, Francesco, Ma, Yan

Journal:

Physical Review B

Année:

2016

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2016

Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability

Borinaga, Miguel, Errea, Ion, Calandra, Matteo, Mauri, Francesco, Bergara, Aitor

Journal:

Physical Review B

Année:

2016

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2016

Anharmonic enhancement of superconductivity in metallic molecular Cmca − 4 hydrogen at high pressure: a first-principles study

Borinaga, Miguel, Riego, P, Leonardo, A, Calandra, Matteo, Mauri, Francesco, Bergara, Aitor, Errea, Ion

Journal:

Journal of Physics Condensed Matter

Année:

2016

Langue:

english

Fichier:

PDF, 1.36 MB

english, 2016

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

Errea, Ion

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Année:

2016

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2016

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

Nemausat, Ruidy, Gervais, Christel, Brouder, Christian, Trcera, Nicolas, Bordage, Amélie, Coelho-Diogo, Cristina, Florian, Pierre, Rakhmatullin, Aydar, Errea, Ion, Paulatto, Lorenzo, Lazzeri, Michele,

Journal:

Physical Chemistry Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 2.32 MB

english, 2017

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

Bianco, Raffaello, Errea, Ion, Paulatto, Lorenzo, Calandra, Matteo, Mauri, Francesco

Journal:

Physical Review B

Année:

2017

Langue:

english

Fichier:

PDF, 940 KB

english, 2017

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

Borinaga, Miguel, Aseginolaza, Unai, Errea, Ion, Calandra, Matteo, Mauri, Francesco, Bergara, Aitor

Journal:

Physical Review B

Année:

2017

Langue:

english

Fichier:

PDF, 393 KB

english, 2017

Strong Electron-Phonon and Band Structure Effects in the Optical Properties of High Pressure Metallic Hydrogen

Borinaga, Miguel, Ibañez-Azpiroz, Julen, Bergara, Aitor, Errea, Ion

Journal:

Physical Review Letters

Année:

2018

Langue:

english

Fichier:

PDF, 830 KB

english, 2018

Inelastic X ray scattering under pressure to probe the quantum phase transition in the transition metal dichalcogenides

Leroux, Maxime, Errea, Ion, Tacon, Mathieu Le, Souliou, Sophia-Michaela, Garbarino, Gaston, Cario, Laurent, Bosak, Alexey, Mauri, Francesco, Calandra, Matteo, Rodière, Pierre

Journal:

Journal of Physics Conference Series

Année:

2017

Langue:

english

Fichier:

PDF, 181 KB

english, 2017

High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects

Bianco, Raffaello, Errea, Ion, Calandra, Matteo, Mauri, Francesco

Journal:

Physical Review B

Année:

2018

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2018

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

Monacelli, Lorenzo, Errea, Ion, Calandra, Matteo, Mauri, Francesco

Journal:

Physical Review B

Année:

2018

Langue:

english

Fichier:

PDF, 862 KB

english, 2018

Ab initio study of the LiH phase diagram at extreme pressures and temperatures

Biswas, Sananda, Errea, Ion, Calandra, Matteo, Mauri, Francesco, Scandolo, Sandro

Journal:

Physical Review B

Année:

2019

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2019

Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe

Aseginolaza, Unai, Bianco, Raffaello, Monacelli, Lorenzo, Paulatto, Lorenzo, Calandra, Matteo, Mauri, Francesco, Bergara, Aitor, Errea, Ion

Journal:

Physical Review Letters

Année:

2019

Langue:

english

Fichier:

PDF, 1.76 MB

english, 2019

Quantum Enhancement of Charge Density Wave in NbS 2 in the Two-Dimensional Limit

Bianco, Raffaello, Errea, Ion, Monacelli, Lorenzo, Calandra, Matteo, Mauri, Francesco

Journal:

Nano Letters

Année:

2019

Fichier:

PDF, 5.88 MB

2019

Quantum Enhancement of Charge Density Wave in NbS 2 in the Two-Dimensional Limit

Bianco, Raffaello, Errea, Ion, Monacelli, Lorenzo, Calandra, Matteo, Mauri, Francesco

Journal:

Nano Letters

Année:

2019

Langue:

english

Fichier:

PDF, 5.88 MB

english, 2019

Superconducting Hydrides Under Pressure

Pickard, Chris J., Errea, Ion, Eremets, Mikhail I.

Journal:

Annual Review of Condensed Matter Physics

Année:

2020

Fichier:

PDF, 2.81 MB

2020

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

Aseginolaza, Unai, Bianco, Raffaello, Monacelli, Lorenzo, Paulatto, Lorenzo, Calandra, Matteo, Mauri, Francesco, Bergara, Aitor, Errea, Ion

Journal:

Physical Review B

Année:

2019

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2019

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

Aseginolaza, Unai, Bianco, Raffaello, Monacelli, Lorenzo, Paulatto, Lorenzo, Calandra, Matteo, Mauri, Francesco, Bergara, Aitor, Errea, Ion

Journal:

Physical Review B

Année:

2019

Fichier:

PDF, 1.17 MB

2019

Infrared Permittivity of the Biaxial van der Waals Semiconductor Î±âMoO 3 from Nearâ and FarâField Correlative Studies

ÃlvarezâPÃ©rez, Gonzalo, Folland, Thomas G., Errea, Ion, TaboadaâGutiÃ©rrez, Javier, Duan, Jiahua, MartÃnâSÃ¡nchez, Javier, TresguerresâMata, Ana I. F., Matson, Joseph R., Bylinkin, Andrei,

Journal:

Advanced Materials

Année:

2020

Fichier:

PDF, 2.28 MB

2020

Anharmonicity and doping melt the charge density wave in single layer TiSe2

zhou, jianqiang Sky, Monacelli, Lorenzo, Bianco, Raffaello, Errea, Ion, Mauri, Francesco, Calandra, Matteo

Journal:

Nano Letters

Année:

2020

Fichier:

PDF, 2.66 MB

2020

Van der Waals Semiconductors: Infrared Permittivity of the Biaxial van der Waals Semiconductor Î±âMoO 3 from Nearâ and FarâField Correlative Studies (Adv. Mater. 29/2020)

Journal:

Advanced Materials

Année:

2020

Fichier:

PDF, 2.25 MB

2020

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

Bianco, Raffaello, Monacelli, Lorenzo, Calandra, Matteo, Mauri, Francesco, Errea, Ion

Journal:

Physical Review Letters

Année:

2020

Fichier:

PDF, 462 KB

2020

Black metal hydrogen above 360âGPa driven by proton quantum fluctuations

Monacelli, Lorenzo, Errea, Ion, Calandra, Matteo, Mauri, Francesco

Journal:

Nature Physics

Année:

2020

Fichier:

PDF, 2.99 MB

2020