论文标题
nis $ _2 $中的门控诱导的莫特过渡
Gating-Induced Mott Transition in NiS$_2$
论文作者
论文摘要
NIS $ _2 $被广泛认为是研究带宽控制的Mott Transition的模型系统，这是由S位点上的Isovalent SE化学替换启用的。在电解质门控的进展中，我们从理论上研究了门控引起的填充控制的莫特过渡，这具有避免掺杂症和化学计量变化的优势。我们使用合并的密度功能理论（DFT）和动态平均场理论（DMFT）来研究这种填充控制的过渡，并将其与带宽控制的情况进行比较。我们绘制一个温度填充的相图，发现金属过渡的Mott-unsulator以适度的添加电子浓度发生，就在现有的电解质门控实验的能力范围内。我们发现，当通过门控诱导过渡时，在金属阶段，在费米水平上存在明显的不一致的重量。相反，在带宽控制的过渡的情况下，光谱重量仍然相当一致。
NiS$_2$ has been widely regarded as a model system to study the bandwidth-controlled Mott transition, as enabled by isovalent Se chemical substitution on the S sites. Motivated by advances in electrolyte gating, we theoretically investigate the filling-controlled Mott transition induced by gating, which has the advantage of avoiding dopant disorder and stoichiometric changes. We use combined Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) to study such a filling-controlled transition and compare it with the case of bandwidth control. We draw a temperature-filling phase diagram and find that the Mott-insulator to metal transition occurs with modest added electron concentrations, well within the capabilities of existing electrolyte gating experiments. We find that there is significant incoherent weight at the Fermi level in the metallic phase when the transition is induced by gating. In contrast, the spectral weight remains rather coherent in the case of the bandwidth-controlled transition.
