论文标题
在镍超导体中拓扑氢的特征
Signatures of topotactic hydrogen in nickelate superconductors
论文作者
论文摘要
超导性进入了以巨大的实验和理论努力为标志的镍年龄。尽管如此，合成的镍超导体仍然极具挑战性，尤其是由于不完全减少氧气和拓扑氢。在这里，我们提出密度功能理论的计算，将声子模式确定为拓扑氢的可能指示，并讨论氧气和氢杂质周围的电荷重新分布模式。
Superconductivity has entered the nickel age marked by enormous experimental and theoretical efforts. Notwithstanding, synthesizing nickelate superconductors remains extremely challenging, not least due to incomplete oxygen reduction and topotactic hydrogen. Here, we present density-functional theory calculations, identify a phonon mode as a possible indication for topotactic hydrogen and discuss the charge redistribution patterns around oxygen and hydrogen impurities.
