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Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics

S F J Cox, J L Gavartin, J S Lord, S P Cottrell, J M Gil, H V Alberto, J Piroto Duarte, R C Vilão, N Ayres de Campos, D J Keeble, E A Davis, M Charlton, D P van der Werf, Dirk van der Werf Orcid Logo

Journal of Physics: Condensed Matter, Volume: 18, Issue: 3

Swansea University Author: Dirk van der Werf Orcid Logo

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Abstract

Following the prediction and confirmation that interstitial hydrogen forms shallow donors in zinc oxide, inducing electronic conductivity, the question arises as to whether it could do so in other oxides, not least in those under consideration as thin-film insulators or high-permittivity gate dielec...

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Published in: Journal of Physics: Condensed Matter
ISSN: 0953-8984 1361-648X
Published: 2006
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URI: https://cronfa.swan.ac.uk/Record/cronfa15946
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spelling 2013-09-14T15:00:10.2878137 v2 15946 2013-09-14 Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics 4a4149ebce588e432f310f4ab44dd82a 0000-0001-5436-5214 Dirk van der Werf Dirk van der Werf true false 2013-09-14 SPH Following the prediction and confirmation that interstitial hydrogen forms shallow donors in zinc oxide, inducing electronic conductivity, the question arises as to whether it could do so in other oxides, not least in those under consideration as thin-film insulators or high-permittivity gate dielectrics. We have screened a wide selection of binary oxides for this behaviour, therefore, using muonium as an accessible experimental model for hydrogen. New examples of the shallow-donor states that are required for n-type doping are inferred from hyperfine broadening or splitting of the muon spin rotation spectra. Electron effective masses are estimated (for several materials where they are not previously reported) although polaronic rather than hydrogenic models appear in some cases to be appropriate. Deep states are characterized by hyperfine decoupling methods, with new examples found of the neutral interstitial atom even in materials where hydrogen is predicted to have negative-U character, as well as a highly anisotropic deep-donor state assigned to a muonium–vacancy complex. Comprehensive data on the thermal stability of the various neutral states are given, with effective ionization temperatures ranging from 10 K for the shallow to over 1000 K for the deep states, and corresponding activation energies between tens of meV and several eV. A striking feature of the systematics, rationalized in a new model, is the preponderance of shallow states in materials with band-gaps less below 5 eV, atomic states above 7 eV, and their coexistence in the intervening threshold range, 5–7 eV. Journal Article Journal of Physics: Condensed Matter 18 3 1119 0953-8984 1361-648X 6 1 2006 2006-01-06 10.1088/0953-8984/18/3/022 COLLEGE NANME Physics COLLEGE CODE SPH Swansea University 2013-09-14T15:00:10.2878137 2013-09-14T15:00:03.0834355 Faculty of Science and Engineering School of Biosciences, Geography and Physics - Physics S F J Cox 1 J L Gavartin 2 J S Lord 3 S P Cottrell 4 J M Gil 5 H V Alberto 6 J Piroto Duarte 7 R C Vilão 8 N Ayres de Campos 9 D J Keeble 10 E A Davis 11 M Charlton 12 D P van der Werf 13 Dirk van der Werf 0000-0001-5436-5214 14
title Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
spellingShingle Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
Dirk van der Werf
title_short Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
title_full Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
title_fullStr Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
title_full_unstemmed Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
title_sort Oxide muonics: II. Modelling the electrical activity of hydrogen in wide-gap and high-permittivity dielectrics
author_id_str_mv 4a4149ebce588e432f310f4ab44dd82a
author_id_fullname_str_mv 4a4149ebce588e432f310f4ab44dd82a_***_Dirk van der Werf
author Dirk van der Werf
author2 S F J Cox
J L Gavartin
J S Lord
S P Cottrell
J M Gil
H V Alberto
J Piroto Duarte
R C Vilão
N Ayres de Campos
D J Keeble
E A Davis
M Charlton
D P van der Werf
Dirk van der Werf
format Journal article
container_title Journal of Physics: Condensed Matter
container_volume 18
container_issue 3
publishDate 2006
institution Swansea University
issn 0953-8984
1361-648X
doi_str_mv 10.1088/0953-8984/18/3/022
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Biosciences, Geography and Physics - Physics{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Biosciences, Geography and Physics - Physics
document_store_str 0
active_str 0
description Following the prediction and confirmation that interstitial hydrogen forms shallow donors in zinc oxide, inducing electronic conductivity, the question arises as to whether it could do so in other oxides, not least in those under consideration as thin-film insulators or high-permittivity gate dielectrics. We have screened a wide selection of binary oxides for this behaviour, therefore, using muonium as an accessible experimental model for hydrogen. New examples of the shallow-donor states that are required for n-type doping are inferred from hyperfine broadening or splitting of the muon spin rotation spectra. Electron effective masses are estimated (for several materials where they are not previously reported) although polaronic rather than hydrogenic models appear in some cases to be appropriate. Deep states are characterized by hyperfine decoupling methods, with new examples found of the neutral interstitial atom even in materials where hydrogen is predicted to have negative-U character, as well as a highly anisotropic deep-donor state assigned to a muonium–vacancy complex. Comprehensive data on the thermal stability of the various neutral states are given, with effective ionization temperatures ranging from 10 K for the shallow to over 1000 K for the deep states, and corresponding activation energies between tens of meV and several eV. A striking feature of the systematics, rationalized in a new model, is the preponderance of shallow states in materials with band-gaps less below 5 eV, atomic states above 7 eV, and their coexistence in the intervening threshold range, 5–7 eV.
published_date 2006-01-06T03:18:12Z
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score 11.013686