BackExaminar OpenAire por departamento (eus.) "Fisika aplikatua I"
Now showing items 21-30 of 30
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Quantum anharmonic enhancement of superconductivity in P63/mmc ScH6 at high pressures: A first-principles study
Hou, Pugeng; Belli, Francesco; Bianco, Raffaello; Errea Lope, Ion
(AIP Publishing, 2021-11-05)
Making use of first-principles calculations, we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of P63/mmc ScH6 in the 100–160 GPa pressure range ... -
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Errea Lope, Ion; Belli, Francesco; Monacelli, Lorenzo; Sanna, Antonio; Koretsune, Takashi; Tadano, Terumasa; Bianco, Raffaello; Calandra, Matteo; Arita, Ryotaro; Mauri, Francesco; Flores-Livas, Jose A. (Springer Nature, 2020-02-05)
The discovery of superconductivity at 200 kelvin in the hydrogen sulfide system at high pressures demonstrated the potential of hydrogen-rich materials as high-temperature superconductors. Recent theoretical predictions ... -
Quantum structural fluxion in superconducting lanthanum polyhydride
; ; Errea Lope, Ion; ; ; ; ; ; (Nature Communications, 2023-03-25)
The discovery of 250-kelvin superconducting lanthanum polyhydride under high pressure marked a significant advance toward the realization of a room‐temperature superconductor. X-ray diffraction (XRD) studies reveal a ... -
Reduced Carbon Monoxide Saturation Coverage on Vicinal Palladium Surfaces: the Importance of the Adsorption Site
García Martínez, Fernando; Dietze, Elisabeth; Schiller, Frederik; Gajdek, Dorotea; Merte, Lindsay R.; Gericke, Sabrina M.; Zetterberg, Johan; Albertin, Stefano; Lundgren, Edvin; Gronbeck, Henrik; Ortega Conejero, José Enrique (American Chemical Society, 2021-10-07)
[EN]Steps at metal surfaces may influence energetics and kinetics of catalytic reactions in unexpected ways. Here, we report a significant reduction of the CO saturation coverage in Pd vicinal surfaces, which in turn is ... -
Strong anharmonic and quantum effects in Pm-3n AlH3 under high pressure: A first-principles study
Hou, Pugeng; Belli, Francesco; Bianco, Raffaello; Errea Lope, Ion (APS, 2021-04-29)
Motivated by the absence of experimental superconductivity in the metallic Pm-3n phase of AlH3 despite the predictions, we reanalyze its vibrational and superconducting properties at pressures P≥99 GPa making use of ... -
Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors
Belli, Francesco; Novoa, Trinidad; Contreras García, Julia; Errea Lope, Ion (Nature Research, 2021-09-16)
By analyzing structural and electronic properties of more than a hundred predicted hydrogen-based superconductors, we determine that the capacity of creating an electronic bonding network between localized units is key to ... -
Surface state tunable energy and mass renormalization from homothetic quantum dot arrays
Piquero Zulaica, Ignacio; Li, Jun; Abd El-Fattah, Z. M.; Solianyk, Leonid; Gallardo Arrieta, Iker; Monjas, Leticia; Hirsch, Anna K. H.; Arnau Pino, Andrés; Ortega Conejero, José Enrique ; Stohr, Meike; Lobo Checa, Jorge (Royal Society of Chemistry, 2019-12-28)
Quantum dot arrays in the form of molecular nanoporous networks are renowned for modifying the electronic surface properties through quantum confinement. Here we show that, compared to the pristine surface state, the band ... -
The 2021 room-temperature superconductivity roadmap
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; Errea Lope, Ion; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; (IOP, 2022-03-03)
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 ... -
The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects
Monacelli, Lorenzo; Bianco, Raffaello; Cherubini, Marco; Calandra, Matteo; Errea Lope, Ion; Mauri, Francesco (IOP Publishing Ltd, 2021-07-13)
[EN] The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the main challenges of solid state physics, ... -
Thermal Diffusivity Measurement of Laser‐ Deposited AISI H13 Tool Steel and Impact on Cooling Performance of Hot Stamping Tools
; Cortina Burón, Magdalena; Mendioroz Astigarraga, María Aránzazu ; Salazar Hernández, Agustín ; (MDPI, 2020-01-20)
Additive manufacturing is a technology that enables the repair and coating of high‐addedvalue parts. In applications such as hot stamping, the thermal behavior of the material is essential to ensure the proper operation ...