57Fe emission Mossbauer spectroscopy following dilute implantation of 57Mn into In2O3

被引：4

作者：

Gerami, A. Mokhles ^{[1
,2
]}

Johnston, K. ^{[1
,3
]}

Gunnlaugsson, H. P. ^{[1
]}

Nomura, K. ^{[4
]}

Mantovan, R. ^{[5
]}

Masenda, H. ^{[6
]}

Matveyev, Y. A. ^{[7
]}

Molholt, T. E. ^{[1
]}

Ncube, M. ^{[6
]}

Shayestehaminzadeh, S. ^{[8
]}

Unzueta, I. ^{[9
]}

Gislason, H. P. ^{[8
]}

Krastev, P. B. ^{[10
]}

Langouche, G. ^{[11
]}

Naidoo, D. ^{[6
]}

Olafsson, S. ^{[8
]}

机构：

[1] CERN, PH Div, CH-1211 Geneva 23, Switzerland

[2] KN Toosi Univ Technol, Dept Phys, POB 15875-4416, Tehran, Iran

[3] Univ Saarland, Expt Phys, D-66123 Saarbrucken, Germany

[4] Tokyo Univ Sci, Photocatalysis Int Res Ctr, Yamazaki 2641, Noda, Chiba 2788501, Japan

[5] IMM CNR, Lab MDM, Via Olivetti 2, I-20864 Agrate Brianza, MB, Italy

[6] Univ Witwatersrand, Sch Phys, Johannesburg 2050, South Africa

[7] Moscow Inst Phys & Technol, 9 Inst, Dolgoprudnyi 141700, Moscow Region, Russia

[8] Univ Iceland, Inst Sci, Dunhaga 3, IS-107 Reykjavik, Iceland

[9] Euskal Herriko Unibertsitatea UPV EHU, BCMat & Elekt Eta Elekt Saila, Bilbao 48048, Spain

[10] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, 72 Tsarigradsko Chaussee Blvd, BU-1784 Sofia, Bulgaria

[11] Katholieke Univ Leuven, Inst Kern Stralings Fys, Leuven, Belgium

来源：

HYPERFINE INTERACTIONS | 2016年 / 237卷

基金：

欧盟地平线“2020”;

关键词：

In2O3; Fe doping; Mn-57; implantation; Emission Mossbauer spectroscopy; Annealing; Density functional theory; GENERALIZED GRADIENT APPROXIMATION; FE; FERROMAGNETISM; MODEL;

D O I：

10.1007/s10751-016-1258-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Emission Mossbauer spectroscopy has been utilised to characterize dilute Fe-57 impurities in In2O3 following implantation of Mn-57 (T-1/2 = 1.5 min.) at the ISOLDE facility at CERN. From stoichiometry considerations, one would expect Fe to adopt the valence state 3+, substituting In3+, 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 In2O3. 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 In2O3. A gradual transition from an amorphous to a crystalline state is observed with increasing implantation/annealing temperature.

引用

页数：9

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