Electronic Structure Investigation of 12442 Iron-Based Superconductors Based on Block-Layer Model  

作　　者：Jianan Bian Xinyuan Jiang Yuchen Zou Yiming Yu 

机构地区：[1]School of Science,Jiliang University,Hangzhou 310018,China

出　　处：《材料科学与工程（中英文B版）》2024年第1期21-26,共6页Journal of Materials Science and Engineering B

摘　　要：Superconducting transition temperature(Tc),as a crucial parameter,exploring its relationship with various macroscopic and microscopic factors helps to understand the mechanism of high-temperature superconductivity from multiple perspectives,aiding in a multidimensional comprehension of high-temperature superconductivity mechanisms.Drawing inspiration from the block-layer structure models of cuprate superconductors,we computationally investigated the interlayer interaction energies in the 12442-type iron-based superconducting materials AkCa_(2)Fe_(4)As_(4)F_(2)(Ak=K,Rb,Cs)systems based on the block-layer model and explored their relationship with Tc.We observed that an increase in interlayer combinative energy leads to a decrease in Tc,while conversely,a decrease in interlayer combination energy results in an increase in Tc.Further,we found that the contribution of the Fe 3d band structure,especially the 3dz2 orbital,to charge transfer is significant.

关 键 词：Block-layer structural mode iron-based superconductor combinative energy superconducting transition temperature 

分 类 号：O61[理学—无机化学]