Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride.
Journal
Nature
ISSN: 1476-4687
Titre abrégé: Nature
Pays: England
ID NLM: 0410462
Informations de publication
Date de publication:
02 2020
02 2020
Historique:
received:
24
07
2019
accepted:
14
11
2019
entrez:
7
2
2020
pubmed:
7
2
2020
medline:
7
2
2020
Statut:
ppublish
Résumé
The discovery of superconductivity at 200 kelvin in the hydrogen sulfide system at high pressures
Identifiants
pubmed: 32025016
doi: 10.1038/s41586-020-1955-z
pii: 10.1038/s41586-020-1955-z
doi:
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
66-69Subventions
Organisme : European Research Council
Pays : International
Références
Drozdov, A. P., Eremets, M. I., Troyan, I. A., Ksenofontov, V. & Shylin, S. I. Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system. Nature 525, 73–76 (2015).
pubmed: 26280333
Liu, H., Naumov, I. I., Hoffmann, R., Ashcroft, N. W. & Hemley, R. J. Potential high-T
pubmed: 28630301
pmcid: 5502634
Peng, F., Sun, Y., Pickard, C. J., Needs, R. J., Wu, Q. & Ma, Y. Hydrogen clathrate structures in rare earth hydrides at high pressures: possible route to room-temperature superconductivity. Phys. Rev. Lett. 119, 107001 (2017).
pubmed: 28949166
Somayazulu, M. et al. Evidence for superconductivity above 260 K in lanthanum superhydride at megabar pressures. Phys. Rev. Lett. 122, 027001 (2019).
pubmed: 30720326
Drozdov, A. P. et al. Superconductivity at 250 K in lanthanum hydride under high pressures. Nature 569, 528–531 (2019).
pubmed: 31118520
Bi, T., Zarifi, N., Terpstra, T. & Zurek, E. The search for superconductivity in high pressure hydrides. Preprint at https://arxiv.org/abs/1806.00163 (2018).
Flores-Livas, J. A., Boeri, L., Sanna, A., Profeta, G., Arita, R. & Eremets, M. A perspective on conventional high-temperature superconductors at high pressure: methods and materials. Preprint at https://arxiv.org/abs/1905.06693 (2019).
Pickard, C. J., Errea, I. & Eremets, M. I. Superconducting hydrides under pressure. Annu. Rev. Condens. Matter Phys. https://doi.org/10.1146/annurev-conmatphys-031218-013413 (2019).
Allen, P. B. & Cohen, M. L. Superconductivity and phonon softening. Phys. Rev. Lett. 29, 1593 (1972).
Ashcroft, N. Metallic hydrogen: A high-temperature superconductor? Phys. Rev. Lett. 21, 1748 (1968).
Dias, R. P. & Silvera, I. F. Observation of the Wigner–Huntington transition to metallic hydrogen. Science 355, 715–718 (2017).
pubmed: 28126728
Gilman, J. J. Lithium dihydrogen fluoride—an approach to metallic hydrogen. Phys. Rev. Lett. 26, 546 (1971).
Ashcroft, N. W. Hydrogen dominant metallic alloys: high temperature superconductors? Phys. Rev. Lett. 92, 187002 (2004).
pubmed: 15169525
Zhang, L., Wang, Y., Lv, J. & Ma, Y. Materials discovery at high pressures. Nat. Rev. Mater. 2, 17005 (2017).
Oganov, A. R., Pickard, C. J., Zhu, Q. & Needs, R. J. Structure prediction drives materials discovery. Nat. Rev. Mater. 4, 331–348 (2019).
Li, Y., Hao, J., Liu, H., Li, Y. & Ma, Y. The metallization and superconductivity of dense hydrogen sulfide. J. Chem. Phys. 140, 174712 (2014).
pubmed: 24811660
Duan, D. et al. Pressure-induced metallization of dense (H
pubmed: 25382349
pmcid: 4225546
Liu, H., Naumov, I. I., Geballe, Z. M., Somayazulu, M., Tse, J. S. & Hemley, R. J. Dynamics and superconductivity in compressed lanthanum superhydride. Phys. Rev. B 98, 100102(R) (2018).
Geballe, Z. M. et al. Synthesis and stability of lanthanum superhydrides. Angew. Chem. Int. Ed. 57, 688–692 (2018).
Hemley, R. J., Ahart, M., Liu, H. & Somayazulu, M. Road to room-temperature superconductivity: T
Benoit, M., Marx, D. & Parrinello, M. Tunnelling and zero-point motion in high-pressure ice. Nature 392, 258–261 (1998).
Errea, I. et al. Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system. Nature 532, 81–84 (2016).
pubmed: 27018657
Bianco, R., Errea, I., Calandra, M. & Mauri, F. High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: structural and vibrational properties including quantum and anharmonic effects. Phys. Rev. B 97, 214101 (2018).
Goedecker, S. Minima hopping: an efficient search method for the global minimum of the potential energy surface of complex molecular systems. J. Chem. Phys. 120, 9911 (2004).
pubmed: 15268009
Bianco, R., Errea, I., Paulatto, L., Calandra, M. & Mauri, F. Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation. Phys. Rev. B 96, 014111 (2017).
Monacelli, L., Errea, I., Calandra, M. & Mauri, F. Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation. Phys. Rev. B 98, 024106 (2018).
Liu, L., Wang, C., Yi, S., Kim, K. W., Kim, J. & Cho, J.-H. Microscopic mechanism of room-temperature superconductivity in compressed LaH
Troyan, I. A. et al. Synthesis and superconductivity of yttrium hexahydride [Formula: see text]-YH
Semenok, D. V. et al. Superconductivity at 161 K in thorium hydride ThH
Kong, P. P. et al. Superconductivity up to 243 K in yttrium hydrides under high pressure. Preprint at https://arxiv.org/abs/1909.10482 (2019).
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).
pubmed: 10062328
Baroni, S., de Gironcoli, S., Dal Corso, A. & Giannozzi, P. Phonons and related crystal properties from density-functional perturbation theory. Rev. Mod. Phys. 73, 515 (2001).
Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21, 395502 (2009).
pubmed: 21832390
Giannozzi, P. et al. Advanced capabilities for materials modelling with QUANTUM ESPRESSO. J. Phys. Condens. Matter 29, 465901 (2017).
pubmed: 29064822
Errea, I., Calandra, M. & Mauri, F. First-principles theory of anharmonicity and the inverse isotope effect in superconducting palladium-hydride compounds. Phys. Rev. Lett. 111, 177002 (2013).
pubmed: 24206514
Errea, I., Calandra, M. & Mauri, F. Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: application to platinum and palladium hydrides. Phys. Rev. B 89, 064302 (2014).
Amsler, M. & Goedecker, S. Crystal structure prediction using the minima hopping method. J. Chem. Phys. 133, 224104 (2010).
pubmed: 21171680
Flores-Livas, J. A., Sanna, A. & Gross, E. K. U. High temperature superconductivity in sulfur and selenium hydrides at high pressure. Eur. Phys. J. B 89, 63 (2016).
Flores-Livas, J. A. et al. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure. Phys. Rev. B 93, 020508 (2016).
Flores-Livas, J. A. et al. Interplay between structure and superconductivity: metastable phases of phosphorus under pressure. Phys. Rev. Mater. 1, 024802 (2017).
Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996).
Oliveira, L. N., Gross, E. K. U. & Kohn, W. Density-functional theory for superconductors. Phys. Rev. Lett. 60, 2430 (1988).
pubmed: 10038349
Lüders, M. et al. Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals. Phys. Rev. B 72, 024545 (2005).
Flores-Livas, J. A. & Sanna, A. Superconductivity in intercalated group-IV honeycomb structures. Phys. Rev. B 91, 054508 (2015).
Pellegrini, C., Glawe, H. & Sanna, A. Density functional theory of superconductivity in doped tungsten oxides. Phys. Rev. Mater. 3, 064804 (2019).
Marques, M. A. L. et al. Ab initio theory of superconductivity. II. Application to elemental metals. Phys. Rev. B 72, 024546 (2005).
Linscheid, A., Sanna, A., Floris, A. & Gross, E. K. U. First-principles calculation of the real-space order parameter and condensation energy density in phonon-mediated superconductors. Phys. Rev. Lett. 115, 097002 (2015).
pubmed: 26371675
Massidda, S. et al. The role of Coulomb interaction in the superconducting properties of CaC
Sanna, A. et al. Ab initio Eliashberg theory: making genuine predictions of superconducting features. J. Phys. Soc. Jpn. 87, 041012 (2018).
Sano, W., Koretsune, T., Tadano, T., Akashi, R. & Arita, R. Effect of Van Hove singularities on high-T