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Auteurs principaux: Wang, Xiaoyu, Geng, Nisha, de Villa, Kyla, Militzer, Burkard, Zurek, Eva
Format: Preprint
Publié: 2024
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Accès en ligne:https://arxiv.org/abs/2405.11438
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author Wang, Xiaoyu
Geng, Nisha
de Villa, Kyla
Militzer, Burkard
Zurek, Eva
author_facet Wang, Xiaoyu
Geng, Nisha
de Villa, Kyla
Militzer, Burkard
Zurek, Eva
contents In the last decade, there has been great progress in predicting and synthesizing polyhydrides that exhibit superconductivity when squeezed. Dopants allow these compounds to become metals at pressures lower than those required to metallize elemental hydrogen. Here, we show that by combining the fundamental planetary building blocks of molecular hydrogen and ammonia, conventional superconducting compounds can be formed at high pressure. Through extensive theoretical calculations we predict metallic metastable structures with NH$_n$ ($n=10,11,24$) stoichiometries that are based on NH$_4^+$ superalkali cations and complex hydrogenic lattices. The hydrogen atoms in the molecular cation contribute to the superconducting mechanism, and the estimated superconducting critical temperatures, $T_\text{c}$s, are comparable to the highest values computed for the alkali metal polyhydrides. The largest calculated (isotropic Eliashberg) $T_\text{c}$ is 179~K for $Pnma$-NH$_{10}$ at 300~GPa. Our results suggest that other molecular cations can be mixed with hydrogen under pressure yielding superconducting compounds.
format Preprint
id arxiv_https___arxiv_org_abs_2405_11438
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Superconductivity in Dilute Hydrides of Ammonia under Pressure
Wang, Xiaoyu
Geng, Nisha
de Villa, Kyla
Militzer, Burkard
Zurek, Eva
Materials Science
In the last decade, there has been great progress in predicting and synthesizing polyhydrides that exhibit superconductivity when squeezed. Dopants allow these compounds to become metals at pressures lower than those required to metallize elemental hydrogen. Here, we show that by combining the fundamental planetary building blocks of molecular hydrogen and ammonia, conventional superconducting compounds can be formed at high pressure. Through extensive theoretical calculations we predict metallic metastable structures with NH$_n$ ($n=10,11,24$) stoichiometries that are based on NH$_4^+$ superalkali cations and complex hydrogenic lattices. The hydrogen atoms in the molecular cation contribute to the superconducting mechanism, and the estimated superconducting critical temperatures, $T_\text{c}$s, are comparable to the highest values computed for the alkali metal polyhydrides. The largest calculated (isotropic Eliashberg) $T_\text{c}$ is 179~K for $Pnma$-NH$_{10}$ at 300~GPa. Our results suggest that other molecular cations can be mixed with hydrogen under pressure yielding superconducting compounds.
title Superconductivity in Dilute Hydrides of Ammonia under Pressure
topic Materials Science
url https://arxiv.org/abs/2405.11438