Impact of interstitial oxygen on the electronic and magnetic structure in superconducting Fe1+yTe Ox 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

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

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

Research output: Contribution to journal › Article › peer-review

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.

Original language	English (US)
Article number	180504
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	90
Issue number	18
DOIs	https://doi.org/10.1103/PhysRevB.90.180504
State	Published - Nov 19 2014

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.90.180504

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title = "Impact of interstitial oxygen on the electronic and magnetic structure in superconducting Fe1+yTe Ox thin films",

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.",

author = "Hefei Hu and Kwon, {Ji Hwan} and Mao Zheng and Can Zhang and Greene, {Laura H.} and Eckstein, {James N.} and Zuo, {Jian Min}",

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T1 - Impact of interstitial oxygen on the electronic and magnetic structure in superconducting Fe1+yTe Ox thin films

AU - Hu, Hefei

AU - Kwon, Ji Hwan

AU - Zheng, Mao

AU - Zhang, Can

AU - Greene, Laura H.

AU - Eckstein, James N.

AU - Zuo, Jian Min

PY - 2014/11/19

Y1 - 2014/11/19

N2 - 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.

AB - 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.

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

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