Related papers: Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N-H system

Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N-H system

URL: http://arxiv.org/abs/2307.10699v1
Date: Thu, 20 Jul 2023 08:42:07 GMT
Title: Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N-H system
Authors: Yue-Wen Fang, {\DH}or{\dj}e Dangi\'c, Ion Errea
Abstract summary: We report the recent report of near-ambient superconductivity in nitrogen-doped lutetium hydrides (Lu-N-H) None of the predicted structures shows the potential to support high-temperature superconductivity and the inclusion of nitrogen favors the appearance of insulating phases. Our findings suggest that high-temperature superconductivity is not possible in stable phases at near-ambient pressure.
Score: 0.0
License: http://creativecommons.org/licenses/by-nc-sa/4.0/
Abstract: The recent report of near-ambient superconductivity in nitrogen-doped lutetium hydrides (Lu-N-H) has generated a great interest. However, conflicting results have raised doubts regarding superconductivity. Here, we combine high-throughput crystal structure predictions with a fast predictor of the superconducting critical temperature ($T_c$) to shed light on the properties of Lu-N-H at 1 GPa. None of the predicted structures shows the potential to support high-temperature superconductivity and the inclusion of nitrogen favors the appearance of insulating phases. Despite the lack of near-ambient superconductivity, we consider alternative metastable templates and study their $T_c$ and dynamical stability including quantum anharmonic effects. The cubic Lu$_4$H$_{11}$N exhibits a high $T_c$ of 100 K at 20 GPa, a large increase compared to 30 K obtained in its parent LuH$_3$. Interestingly, it has a similar X-ray pattern to the experimentally observed one. The LaH$_{10}$-like LuH$_{10}$ and CaH$_6$-like LuH$_6$ become high-temperature superconductors at 175 GPa and 100 GPa, with $T_c$ of 286 K and 246 K, respectively. Our findings suggest that high-temperature superconductivity is not possible in stable phases at near-ambient pressure, but metastable high-$T_c$ templates exist at moderate and high pressures.

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