钌基三元磷化物ZrRuAs和HfRuP中的拓扑电子态与声子介导的超导性
Topological Electronic States and Phonon Mediated Superconductivity in Ru Based Ternary Pnictides: ZrRuAs and HfRuP
AI总结:
研究ZrRuAs和HfRuP的结构、电子等性质,通过电子能带结构计算等方法,揭示其拓扑半金属行为,给出超导转变温度等,填补拓扑超导材料研究空白。
摘要:
本研究调查了ZrRuAs和HfRuP的结构、电子、机械、光学、热力学和超导性质。电子能带结构计算揭示了两种化合物的拓扑半金属行为,包含自旋轨道耦合会消除能带简并。费米面显示电子和空穴部分。结果提供了ZrRuAs和HfRuP物理和超导性质的详细视图。
英文摘要:
This study investigates the structural, electronic, mechanical, optical, thermodynamic, and superconducting properties of ZrRuAs and HfRuP. Electronic band structure calculations reveal topological semimetallic behavior in both compounds with several bands crossing the Fermi level. The inclusion of spin orbit coupling lifts band degeneracies in both compounds. The Fermi surface shows both electron and hole segments. The estimated Pugh ratio, Poisson ratio and machinability index indicate that both compounds are ductile in nature and exhibit excellent machinability. Optical results show metallic reflectivity and notable absorption in the ultraviolet region. Thermodynamic analysis indicates stable behavior. The estimated superconducting transition temperatures are 9.75 K for ZrRuAs and 9.03 K for HfRuP that indicates strong coupling conventional superconductivity. The results provide a detailed view of the physical and superconducting properties of ZrRuAs and HfRuP and help to close the existing research gaps in these topological superconducting materials.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。