论文标题
Lafe中的合理化掺杂和电子相关性$ _2 $ as $ _2 $
Rationalizing doping and electronic correlations in LaFe$_2$As$_2$
论文作者
论文摘要
我们通过从奴隶旋转平均值+密度官能功能理论来考虑局部动力学相关性，计算未填充的Lafe $ _2 $的正常状态的电子特性。假设用于对整个电子和孔掺杂的Bafe $ _2 $建模的局部相互作用强度为$ _2 $ family，我们的计算将重现实验性的Sommerfeld特异性热系数，这是无关带理论预测的价值的两倍。我们发现，Lafe $ _2 $ as $ _2 $具有降低的裸露带宽，尽管其名义价d $^{6.5} $，但它解决了其较大相关性的明显悖论，这意味着在Bafe $ _2 $ as _2 $ _2 $中，这意味着非常极端的夸张和不相关的行为。我们的结果对整个122个家庭产生了一致的图片，并指出了相关强度的重要性，而不是纯粹的掺杂，在解释基于铁的超导体的相图中
We compute the electronic properties of the normal state of uncollapsed LaFe$_2$As$_2$, taking into account local dynamical correlations by means of slave-spin mean-field+density-functional theory. Assuming the same local interaction strength used to model the whole electron- and hole-doped BaFe$_2$As$_2$ family, our calculations reproduce the experimental Sommerfeld specific heat coefficient, which is twice the value predicted by uncorrelated band theory. We find that LaFe$_2$As$_2$ has a reduced bare bandwidth and this solves the apparent paradox of its sizeable correlations despite its nominal valence d$^{6.5}$, which would imply extreme overdoping and uncorrelated behaviour in BaFe$_2$As$_2$. Our results yield a consistent picture of the whole 122 family and point at the importance of the correlation strength, rather than sheer doping, in the interpretation of the phase diagram of iron-based superconductors
