关于TiNCl和ZrNCl的超导电性：局域成键观点
On the superconductivity of TiNCl and ZrNCl: A local bonding perspective
摘要：
我们从局域成键的角度分析了超导体TiNCl和ZrNCl。虽然TiNCl以正交晶系结构结晶，ZrNCl以六方晶系结构结晶，但两种化合物显示出显著的结构相似性，例如，两者都由层状金属-氮网络组成。这两种结构中的局部成键非常相似，导致主要由金属d态组成的色散导带。在掺杂后，两种化合物都显示出结构变化，这导致金属-金属距离变短，表明键合相互作用可能对这些系统中超导性的出现很重要。此外，我们画出类比其他超导体，是接近的电荷密度波不稳定性周围的d 1 -配置，并提供了不同的角度对这类超导体，这表明非BCS-类超导。
英文摘要：
We analyze the superconductors TiNCl and ZrNCl from a local bonding perspective. Although TiNCl crystallizes in an orthorhombic structure and ZrNCl crystallizes in a hexagonal structure, both compounds show significant structural similarities, for example that both consist of layered metal-Nitrogen networks. The local bonding in those two structures is very similar, giving rise to a dispersive conduction band mostly consisting of metal-d -states. Upon doping both compounds show structural changes, which lead to short metal-metal distances, indicating a bonding interaction that might be important for the appearance of superconductivity in these systems. We furthermore draw analogies to other superconductors that are close to a charge density wave instability around a d 1 -configuration and offer a different perspective on this class of superconductors, which show non-BCS-like superconductivity.
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