论文标题
氟化物丘陵类似物中掺杂载体的命运
Fate of doped carriers in silver fluoride cuprate analogues
论文作者
论文摘要
AGF $ _2 $是一种相关的电荷转移绝缘子，其特性与绝缘粉碎片非常相似，后者提出了希望，希望它可能导致一个新的非常规超导体的家族。我们使用从头算计算来研究导致金属化的掺杂策略。因为上哈伯德带是非常狭窄的电子掺杂会导致不需要的自我捕获状态（极性）。对于掺杂孔的情况，北极星趋势比丘比特质量强，但仍然足够温和，可以期望掺杂的化合物可能会变成金属。由于强型电子晶格耦合起源于强屈曲，因此我们还研究了一种假设的平坦同类素，并表明它具有极好的前景，可以成为金属。我们将AGF2的行为与孔掺杂的常规丘陵la $ _2 $ cuo $ _4 $和电子掺杂的nd $ _2 $ cuo $ _4 $进行比较。我们的结果显示了在银氟化物中实现高温超导性的清晰路径。
AgF$_2$ is a correlated charge-transfer insulator with properties remarkably similar to insulating cuprates which have raised hope that it may lead to a new family of unconventional superconductors upon doping. We use ab initio computations to study doping strategies leading to metallization. Because the upper Hubbard band is very narrow electron doping leads to undesired strongly self-trapped states (polarons). For the hole-doped case, polaron tendency is stronger than for cuprates but still moderate enough to expect that heavily doped compounds may become metallic. Since the strong electron lattice coupling originates in the strong buckling we study also an hypothetically flat allotrope and show that it has excellent prospect to become metallic. We compare the AgF2 behavior with that for the hole-doped conventional cuprate La$_2$CuO$_4$ and electron-doped Nd$_2$CuO$_4$. Our results show a clear path to achieve high temperature superconductivity in silver fluorides.
