论文标题
分层AGF2中的巨大工作功能
Gigantic work function in layered AgF2
论文作者
论文摘要
AGF2是一种分层材料，是一种相关的电荷传输绝缘子，其电子结构与Cuprate高-TC超导体的母体化合物非常相似。成为强大的氧化剂也很有趣。在这里，我们介绍了其电子特性在平板几何形状中的第一原理计算，包括其（010）表面（7.76 eV）的功能，该功能似乎是已知材料中最高的材料之一，甚至超过氟化钻石（7.24 eV）。我们证明，如果可以避免化学反应，则AGF2将显示出差异的差异类型对准电子掺杂的电子，并促进许多宽带隙绝缘子的孔。提出了涉及P型和N型超导体的新型交界器。讨论了与创建达到高-TC超导性平坦的AGF2单层的可能性有关的化学反应问题。作为朝这个方向发展的第一步，我们研究了孤立的AGF2单层的稳定性和特性。
AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc superconductors. It is also interesting for being a powerful oxidizer. Here we present a first principles computation of its electronic properties in a slab geometry including its work function for the (010) surface (7.76 eV) which appears to be one of the highest among known materials surpassing even that of fluorinated diamond (7.24 eV). We demonstrate that AgF2 will show a broken-gap type alignment becoming electron doped and promoting injection of holes in many wide band gap insulators if chemical reaction can be avoided. Novel junction devices involving p type and n type superconductors are proposed. The issue of chemical reaction is discussed in connection with the possibility to create flat AgF2 monolayers achieving high-Tc superconductivity. As a first step in this direction, we study the stability and properties of an isolated AgF2 monolayer.
