First-principles calculations of the electronic structure of iron-pnictide EuFe2(As,P)2 superconductors: Evidence for antiferromagnetic spin order

Wei Li; Jian-Xin Zhu; Yan Chen; C. S. Ting

doi:10.1103/PhysRevB.86.155119

← Back to search

First-principles calculations of the electronic structure of iron-pnictide EuFe2(As,P)2 superconductors: Evidence for antiferromagnetic spin order

Wei Li, Jian-Xin Zhu, Yan Chen, C. S. Ting

DOI 10.1103/PhysRevB.86.155119 · Physical Review B

T1

Active bibliographic source — not scientific approval

Bibliographic access preserves source history; it does not approve extracted materials or validate reported claims. Review warnings on each occurrence separately.

Abstract

By using the first-principles electronic and magnetic structure calculations for the iron pnictides EuFe2As2 and EuFe2P2, we find that the ground state of EuFe2As2 is a collinear antiferromagnetic (AFM) order in the Fe layer and an A-type AFM order with Eu spin lying in the basal plane (along 110), while for EuFe2P2 the Fe ions do not carry local moment but the Eu ones order ferromagnetically pointing along the c axis (along 001), which are in good agreement with experiments. We further find that the magnetic order in Fe layer is closely related to the Fe-As-Fe bond angle. When the Fe-As-Fe bond angle decreases to a small value, the system favors ferromagnetic order.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
EuFe2As2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
EuFe2P2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown