English

Superconductivity in Dilute Hydrides of Ammonia under Pressure

Materials Science 2024-05-21 v1

Abstract

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 NHn_n (n=10,11,24n=10,11,24) stoichiometries that are based on NH4+_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, TcT_\text{c}s, are comparable to the highest values computed for the alkali metal polyhydrides. The largest calculated (isotropic Eliashberg) TcT_\text{c} is 179~K for PnmaPnma-NH10_{10} at 300~GPa. Our results suggest that other molecular cations can be mixed with hydrogen under pressure yielding superconducting compounds.

Keywords

Cite

@article{arxiv.2405.11438,
  title  = {Superconductivity in Dilute Hydrides of Ammonia under Pressure},
  author = {Xiaoyu Wang and Nisha Geng and Kyla de Villa and Burkard Militzer and Eva Zurek},
  journal= {arXiv preprint arXiv:2405.11438},
  year   = {2024}
}