57Fe emission Mössbauer spectroscopy following dilute implantation of 57Mn into In 2O3

被引：0

作者：

A. Mokhles Gerami

K. Johnston

H. P. Gunnlaugsson

K. Nomura

R. Mantovan

H. Masenda

Y. A. Matveyev

T. E. Mølholt

M. Ncube

S. Shayestehaminzadeh

I. Unzueta

H. P. Gislason

P. B. Krastev

G. Langouche

D. Naidoo

S. Ólafsson

机构：

[1] PH Div,CERN

[2] K.N.Toosi University of Technology,Department of physics

[3] Universität des Saarlandes,Photocatalysis International Research Center

[4] Experimentalphysik,Laboratorio MDM

[5] Tokyo University of Science,School of Physics

[6] IMM-CNR,Science Institute

[7] University of the Witwatersrand,BCMaterials & Elektrizitate eta Elektronika Saila

[8] Moscow Institute of Physics and Technology,Institute for Nuclear Research and Nuclear Energy

[9] University of Iceland,KU Leuven

[10] Euskal Herriko Unibertsitatea (UPV/EHU),undefined

[11] Bulgarian Academy of Sciences,undefined

[12] Instituut voor Kern-en Stralings Fysika,undefined

来源：

Hyperfine Interactions | 2016年 / 237卷

关键词：

In ; O; Fe doping; Mn implantation; Emission Mössbauer spectroscopy; Annealing; Density functional theory;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Emission Mössbauer spectroscopy has been utilised to characterize dilute 57Fe impurities in In 2O3 following implantation of 57Mn (T1/2 = 1.5 min.) at the ISOLDE facility at CERN. From stoichiometry considerations, one would expect Fe to adopt the valence state 3 + , substituting In 3+, however the spectra are dominated by spectral lines due to paramagnetic Fe2+. Using first principle calculations in the framework of density functional theory (DFT), the density of states of dilute Fe and the hyperfine parameters have been determined. The hybridization between the 3d-band of Fe and the 2p band of oxygen induces a spin-polarized hole on the O site close to the Fe site, which is found to be the cause of the Fe2+ state in In 2O3. Comparison of experimental data to calculated hyperfine parameters suggests that Fe predominantly enters the 8b site rather than the 24d site of the cation site in the Bixbyite structure of In 2O3. A gradual transition from an amorphous to a crystalline state is observed with increasing implantation/annealing temperature.

引用

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