A database of high-pressure crystal structures from hydrogen to lanthanum

Autor: Federico Giannessi, Simone Di Cataldo, Santanu Saha, Lilia Boeri

Publikováno v: Scientific Data, Vol 11, Iss 1, Pp 1-20 (2024)

Abstract This paper introduces the HEX (High-pressure Elemental Xstals) database, a complete database of the ground-state crystal structures of the first 57 elements of the periodic table, from H to La, at 0, 100, 200 and 300 GPa. HEX aims to provide

Externí odkaz: https://doaj.org/article/1e8306ac87404d91b97fe9adfc32b6fb

Search for ambient superconductivity in the Lu-N-H system

Autor: Pedro P. Ferreira, Lewis J. Conway, Alessio Cucciari, Simone Di Cataldo, Federico Giannessi, Eva Kogler, Luiz T. F. Eleno, Chris J. Pickard, Christoph Heil, Lilia Boeri

Publikováno v: Nature Communications, Vol 14, Iss 1, Pp 1-10 (2023)

Abstract Motivated by the recent report of room-temperature superconductivity at near-ambient pressure in N-doped lutetium hydride, we performed a comprehensive, detailed study of the phase diagram of the Lu–N–H system, looking for superconductin

Externí odkaz: https://doaj.org/article/9cf0c45b95294a90b279a4e39f2ab7bb

First-principles search of hot superconductivity in La-X-H ternary hydrides

Autor: Simone Di Cataldo, Wolfgang von der Linden, Lilia Boeri

Publikováno v: npj Computational Materials, Vol 8, Iss 1, Pp 1-8 (2022)

Abstract Motivated by the recent claim of hot superconductivity with critical temperatures up to 550 K in La + x hydrides, we investigate the high-pressure phase diagram of compounds that may have formed in the experiment, using first-principles calc

Externí odkaz: https://doaj.org/article/dd825613caf44be9811c2d4d3503cb96

The 2021 Room-Temperature Superconductivity Roadmap

Autor: Lilia, Boeri, Hennig, Richard, Hirschfeld, Peter, Profeta, Gianni, Sanna, Antonio, Zurek, Eva, Pickett, Warren E, Amsler, Maximilian, Dias, Ranga, Eremets, Mikhail I, Heil, Christoph, Hemley, Russell J, Liu, Hanyu, Ma, Yanming, Pierleoni, Carlo, Kolmogorov, Aleksey N, Rybin, Nikita, Novoselov, Dmitry, Anisimov, Vladimir, Oganov, Artem R, Pickard, Chris J, Bi, Tiange, Arita, Ryotaro, Errea, Ion, Pellegrini, Camilla, Requist, Ryan, Gross, EKU, Margine, Elena Roxana, Xie, Stephen R, Quan, Yundi, Hire, Ajinkya, Fanfarillo, Laura, Stewart, GR, Hamlin, JJ, Stanev, Valentin, Gonnelli, Renato S, Piatti, Erik, Romanin, Davide, Daghero, Dario, Valenti, Roser

Publikováno v: Journal of Physics: Condensed Matter
Addi. Archivo Digital para la Docencia y la Investigación
instname
J Phys Condens Matter
Journal of Physics Condensed Matter

Designing materials with advanced functionalities is the main focus of contemporary solid-state physics and chemistry. Research efforts worldwide are funneled into a few high-end goals, one of the oldest, and most fascinating of which is the search f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d065544534b26667bab33f9c6af0ffc
https://www.repository.cam.ac.uk/handle/1810/334585

Mapping Superconductivity in High-Pressure Hydrides: The $Superhydra$ Project

Autor: Santanu Saha, Simone Di Cataldo, Federico Giannessi, Alessio Cucciari, Wolfgang von der Linden, Lilia Boeri

The discovery of high-$T_c$ conventional superconductivity in high-pressure hydrides has helped establish computational methods as a formidable tool to guide material discoveries in a field traditionally dominated by serendipitous experimental search

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::08cdf210b5d302be62373e1eae3fb9c1