Very recently, a report on possible room-temperature superconductivity in N-doped lutetium hydrides near 1 GPa pressure has drawn lots of attentions. To date, the superconductivity is not confirmed under relatively low pressure in subsequent studies. Based on the density functional theory first-principles calculations, we extensively investigate the influence of charge doping on the stability and superconductivity of LuH3 at ambient pressure. Although electron doping can not stabilize LuH3, we find that the room-pressure stability of LuH3 can be achieved by doping holes with concentrations in between 0.15-0.30 holes/cell. Moreover, our calculations reveal a positive dependence of superconducting transition temperature on the number of doped holes, with the highest value close to 54 K. These findings suggest that realizing superconductivity in hole-doped LuH3 at ambient pressure is not impossible, although the transition temperature is still far away from the room temperature.
@article{arxiv.2306.13981,
title = {Superconductivity at ambient pressure in hole-doped LuH$_3$},
author = {Zhenfeng Ouyang and Miao Gao and Zhong-Yi Lu},
journal= {arXiv preprint arXiv:2306.13981},
year = {2023}
}