论文标题

在化学电容器设置中向平面AGF2单层电荷充电

Charge doping to flat AgF2 monolayers in a chemical capacitor setup

论文作者

Jezierski, Daniel, Grzelak, Adam, Liu, XiaoQiang, Pandey, Shishir Kumar, Gastiasoro, Maria N., Lorenzana, José, Feng, Ji, Grochala, Wojciech

论文摘要

最近预测,如果在适当的底物上的外延沉积可以获得的白银II氟化物的平坦单层,则最近预测,如果掺入最佳水平,则可以表现出非常强的抗抗铁磁甲甲甲基磁性甲壳。结果表明,AGF2可能成为基于磁性胶水的超导体,其临界超导温度在最佳掺杂时接近200 K。在当前的工作中,我们计算出最佳掺杂,以对应于每个配方单元的14%的孔,即与Oxocuprates II非常相似。此外,使用DFT计算,我们表明,使用最近提出的化学电容器设置,扁平的AGF2单层确实可以在受控范围内进行掺杂。与AG III形成相关的孔掺杂被证明在这项工作的设置中很难实现,因为它处于氟化物阴离子的电荷稳定性的边缘,并且不会影响D x2减去Y2歧管。但是,在电子掺杂的情况下,操纵不同的因素(例如掺杂层的数量和分离器的厚度),可以微调掺杂水平的微调 - 以及同时使用TC-从不足的状态到过量的状态(以与Nd2cuo4对象的化学兴奋剂相似的方式)。

Flat monolayers of silver II fluoride, which could be obtained by epitaxial deposition on an appropriate substrate, have been recently predicted to exhibit very strong antiferromagnetic superexchange and to have large potential for ambient pressure superconductivity if doped to an optimal level. It was shown that AgF2 could become a magnetic glue based superconductor with a critical superconducting temperature approaching 200 K at optimum doping. In the current work we calculate the optimum doping to correspond to 14% of holes per formula unit, i.e. quite similar to that for oxocuprates II. Furthermore, using DFT calculations we show that flat AgF2 single layers can indeed be doped to a controlled extent using a recently proposed chemical capacitor setup. Hole doping associated with formation of Ag III proves to be difficult to achieve in the setup explored in this work as it falls at verge of charge stability of fluoride anions and does not affect the d x2 minus y2 manifold . However, in the case of electron doping, manipulation of different factors, such as number of dopant layers and the thickness of the separator, permits fine tuning of the doping level - and concomitantly TC - all the way from underdoped to overdoped regime (in a similar manner as chemical doping for the Nd2CuO4 analogue).

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