Impact of interstitial oxygen on the electronic and magnetic structure in superconducting Fe1+yTeOx thin films

Hefei Hu; Ji-Hwan Kwon; Mao Zheng; Can Zhang; Laura H. Greene; James N. Eckstein; Jian-Min Zuo

doi:10.1103/PhysRevB.90.180504

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Impact of interstitial oxygen on the electronic and magnetic structure in superconducting Fe1+yTeOx thin films

Hefei Hu, Ji-Hwan Kwon, Mao Zheng, Can Zhang, Laura H. Greene, James N. Eckstein, Jian-Min Zuo

DOI 10.1103/PhysRevB.90.180504 · Physical Review B

T1

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Abstract

Interstitial oxygen critical to the emergence of superconductivity in Fe1+yTeOx thin films has been detected. Its location and concentration are measured by atomic-resolution electron-energy-loss spectroscopy with x=0.09. The density functional theory calculations show that oxygen incorporation leads to local disorder in the magnetic moments of Fe, hole doping by oxygen forming ionic bonds with Fe, and a large magnetic- and position-dependent increase or reduction in the Te-Fe-Te bond angles. An examination of bonding based on charge density further reveals covalent charge between Fe and Te, and its reduction with O doping.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
Fe1+yTeOx Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	13	Pressure not reported	onset
Fe1+yTeOx Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	11	Pressure not reported	zero_resistance