Browsing by Author "Fang, Yue-Wen"
Now showing items 1-5 of 5
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Ab initio study of the structural, vibrational, and optical properties of potential parent structures of nitrogen-doped lutetium hydride
Dangic, Dorde ; García Goiricelaya, Peio; Fang, Yue-Wen; Ibañez Azpiroz, Julen; Errea Lope, Ion (APS, 2023-08-28)The recent report of near-ambient conditions superconductivity in a nitrogen-doped lutetium hydride has inspired a large number of experimental studies with contradictory results. We model from first principles the physical ... -
Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N- H system
The report of near-ambient superconductivity in nitrogen-doped lutetium hydrides (Lu-N-H) has generated a great interest. However, conflicting results raised doubts regarding superconductivity. Here, we combine high-throughput ... -
Excitonic insulator to superconductor phase transition in ultra-compressed helium
Liu, Cong; Errea Lope, Ion ; Ding, Chi; Pickard, Chris J.; Conway, Lewis J.; Monserrat, Bartomeu; Fang, Yue-Wen; Lu, Qing; Sun, Jian; Boronat, Jordi; Cazorla, Claudio (Springer Nature, 2023-07-25)Helium, the second most abundant element in the universe, exhibits an extremely large electronic band gap of about 20 eV at ambient pressures. While the metallization pressure of helium has been accurately determined, thus ... -
Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds
Sanna, Antonio; Cerqueira, Tiago F. T.; Fang, Yue-Wen; Errea Lope, Ion ; Ludwig, Alfred; Marques, Miguel A. L. (Nature Research, 2024-02-28)The primary challenge in the field of high-temperature superconductivity in hydrides is to achieve a superconducting state at ambient pressure rather than the extreme pressures that have been required in experiments so ... -
Searching Materials Space for Hydride Superconductors at Ambient Pressure
Cerqueira, Tiago F. T.; Fang, Yue-Wen; Errea Lope, Ion ; Sanna, Antonio; Marques, Miguel A. L. (Wiley, 2024-06-19)A machine-learning-assisted approach is employed to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. The investigation yields ≈50 systems with ...