一类新的无氧铜FeAs超导体的母相--四元和正交氟砷化物SrFeAsF的能带结构
Band structure of tetragonal and orthorhombic fluorine-arsenide SrFeAsF as a parent phases for a new group of oxygen-free FeAs superconductors
摘要:
本文采用全势线性缀加平面波方法(LAPW-GGA)研究了氟砷化锶铁砷氟(SrFeAsF)的电子能带结构。对高温四方晶系和低温正交晶系SrFeAsF相的电子能带、态密度、费米面和原子电荷进行了计算和讨论。
英文摘要:
The full-potential linearized augmented plane wave method with the generalized gradient approximation for the exchange and correlation potential (LAPW-GGA) is used to understand the electronic band structure of fluorine-arsenide SrFeAsF as a possible parent material for a new group of oxygen-free FeAs superconductors. The electronic bands, density of states, Fermi surface and atomic charges have been evaluated and discussed for high-temperature tetragonal and low-temperature orthorhombic SrFeAsF phases.
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