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Possible role of bonding angle and orbital mixing in iron pnictide superconductivity: Comparative electronic structure studies of LiFeAs and Sr 2 VO 3 FeAs

2015; American Physical Society; Volume: 92; Issue: 4 Linguagem: Inglês

10.1103/physrevb.92.041116

1550-235X

Kee Hoon Kim, Youngwoo Koh, Wonshik Kyung, Garam Han, Boeun Lee, Kee Hoon Kim, Jong Mok Ok, Jun Sung Kim, Masashi Arita, K. Shimada, H. Namatame, M. Taniguchi, Sung‐Kwan Mo, Changsoo Kim,

Intellectual Capital and Performance Analysis

A well-known universal feature among iron pnictide superconductors is the correlation between the As-Fe-As bonding angle and the superconducting transition temperature. However, the origin of such a correlation has not been clearly understood despite its potential importance in understanding the mechanism of superconductivity. Here, we present comparative electronic structure studies of LiFeAs and ${\mathrm{Sr}}_{2}{\mathrm{VO}}_{3}\mathrm{FeAs}$, two representative systems without any dopant that can show bonding angle dependence of the electronic structure. Captured distinct features of the higher ${T}_{c}$ compound ${\mathrm{Sr}}_{2}{\mathrm{VO}}_{3}\mathrm{FeAs}$ such as an unusual ${k}_{z}$ modulation and anomalous polarization dependence suggest that the difference between the two systems is in the interorbital coupling strength. This could be the essential element of the bonding angle dependence that allows an enhanced pairing instability and ${T}_{c}$.