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Phase Transitions and Superconductivity of Iron-based Superconductors from First-principles by Liu, Shi-Yu; Liu, Shang; Liu, Shiyang; Li, De-Jun; Shah, Deependra; Leng, Ruohanyang; Wang, Sanwu is a Physics and Astronomy article available to read on EtoBox.

What is Phase Transitions and Superconductivity of Iron-based Superconductors from First-principles about?

First-principles calculations were performed to explore the atomic, electronic and superconductivity properties of the Ba 1-x (K, Na) x Fe 2 As 2 , LaFeAsO 1-x F x and Ca 1-x La x FeAsH iron-based superconductors. The calculations show that the iron-based superconductors undergo structural and magnetic phase transitions from an orthorhombic antiferromagnetic (AFM) structure to a tetragonal structure when the impurity (K/Na/F/La) concentration increases, indicating that the impurity can suppress the AFM of the BaFe 2 As 2 , LaFeAsO and CaFeAsH compounds and then induce superconductivity under the K/Na/F/La-rich conditions, in agreement with experimental observations. In addition, the electronic band structures of the tetragonal iron-based superconductors show flat bands near the Fermi levels, and the superconductive transition temperature scales with the length of the flat band segment, consistent with the previous study on the cuprate superconductors. The mechanism of the iron-based superconductors is further understood with string theory.

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Author

Liu, Shi-Yu; Liu, Shang; Liu, Shiyang; Li, De-Jun; Shah, Deependra; Leng, Ruohanyang; Wang, Sanwu

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0375-9601)

Published

2020

Language

EN

Field

Physics and Astronomy (Physical Sciences)