Abstract
A Green's function method was adopted to estimate the maximum eigenvalue of Eliashberg equation (an indicator of Tc) for NaFeAs with different bond angles. Through calculations the band structure of NaFeAs was obtained. It was found that hole pockets could form at the center of the first Brillion zone in the band structure, which confirmed the existence of superconductivity in NaFeAs. The upper limit of the Fe-As-Fe bond angle for superconductivity was found to be 121° and the highest Tcwould occur at the angle of 108°.
Original language | English |
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Pages (from-to) | 12-16 |
Number of pages | 5 |
Journal | Solid State Communications |
Volume | 246 |
DOIs | |
Publication status | Published - 1 Nov 2016 |
Keywords
- A. NaFeAs
- A. Superconductor
- C. Bond angle
- D. Transition temperature
ASJC Scopus subject areas
- General Chemistry
- Condensed Matter Physics
- Materials Chemistry