Browsing OpenAire by Author "Ibañez Azpiroz, Julen"
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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 ...