Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In2O3

Weiser, Philip; Qin, Ying; Yin, Weikai; Stavola, Michael; Fowler, W. Beall; Boatner, Lynn A.

doi:10.1063/1.4967943

Title: Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In₂O₃

Abstract

Uniaxial stress experiments performed for the 3306 cm^-1 vibrational line assigned to the interstitial-hydrogen, shallow-donor center in In₂O₃ reveal its symmetry and transition- moment direction. The defect alignment that can be produced by a [001] stress applied at 165 K is due to a process that is also a hydrogen- diffusion jump, providing a microscopic determination of the diffusion constant for H in In₂O₃ and its mechanism. Lastly, our experimental results strongly complement theoretical predictions for the structure and diffusion of the interstitial hydrogen donor center in In₂O₃.

Authors:

Weiser, Philip ^[1]; Qin, Ying ^[1]; Yin, Weikai ^[1];

^[1]; Fowler, W. Beall ^[1];

^[2]

Lehigh Univ., Bethlehem, PA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Wed Nov 16 00:00:00 EST 2016

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1333090

Alternate Identifier(s):: OSTI ID: 1332375

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 109; Journal Issue: 20; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; light-emitting diodes; In2O3 doped with Sn; conducting oxide; diffusion; infrared spectra; interstitial defects; activation energies; absorption spectra

Citation Formats


                    Weiser, Philip, Qin, Ying, Yin, Weikai, Stavola, Michael, Fowler, W. Beall, and Boatner, Lynn A. Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In2O3.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4967943.

Copy to clipboard


                    Weiser, Philip, Qin, Ying, Yin, Weikai, Stavola, Michael, Fowler, W. Beall, & Boatner, Lynn A. Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In2O3.  United States.  https://doi.org/10.1063/1.4967943

Copy to clipboard


                    Weiser, Philip, Qin, Ying, Yin, Weikai, Stavola, Michael, Fowler, W. Beall, and Boatner, Lynn A. Wed .  
"Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In2O3".  United States.  https://doi.org/10.1063/1.4967943.  https://www.osti.gov/servlets/purl/1333090.

Copy to clipboard


                    
@article{osti_1333090,

  title        = {Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In2O3},

  author       = {Weiser, Philip and Qin, Ying and Yin, Weikai and Stavola, Michael and Fowler, W. Beall and Boatner, Lynn A.},

  abstractNote = {Uniaxial stress experiments performed for the 3306 cm-1 vibrational line assigned to the interstitial-hydrogen, shallow-donor center in In2O3 reveal its symmetry and transition- moment direction. The defect alignment that can be produced by a [001] stress applied at 165 K is due to a process that is also a hydrogen- diffusion jump, providing a microscopic determination of the diffusion constant for H in In2O3 and its mechanism. Lastly, our experimental results strongly complement theoretical predictions for the structure and diffusion of the interstitial hydrogen donor center in In2O3.},

  doi          = {10.1063/1.4967943},

  journal      = {Applied Physics Letters},

  number       = 20,

  volume       = 109,

  place        = {United States},

  year         = {Wed Nov 16 00:00:00 EST 2016},

  month        = {Wed Nov 16 00:00:00 EST 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1063/1.4967943

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 11 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Hydrogen multicentre bonds
journal, December 2006

Janotti, Anderson; Van de Walle, Chris G.
Nature Materials, Vol. 6, Issue 1
DOI: 10.1038/nmat1795

Hydrogen as a Cause of Doping in Zinc Oxide
journal, July 2000

Van de Walle, Chris G.
Physical Review Letters, Vol. 85, Issue 5
DOI: 10.1103/PhysRevLett.85.1012

Hydrogen centers and the conductivity of $I n_{2} O_{3}$ single crystals
journal, February 2015

Yin, Weikai; Smithe, Kirby; Weiser, Philip
Physical Review B, Vol. 91, Issue 7
DOI: 10.1103/PhysRevB.91.075208

Conductivity in transparent oxide semiconductors
journal, August 2011

King, P. D. C.; Veal, T. D.
Journal of Physics: Condensed Matter, Vol. 23, Issue 33
DOI: 10.1088/0953-8984/23/33/334214

Motional characteristics of positively charged muonium defects in In2O3
conference, January 2014

Baker, B. B.; Celebi, Y. G.; Lichti, R. L.
INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013: Proceedings of the 27th International Conference on Defects in Semiconductors, ICDS-2013, AIP Conference Proceedings
DOI: 10.1063/1.4865662

Application of hydrogen-doped In2O3 transparent conductive oxide to thin-film microcrystalline Si solar cells
journal, March 2010

Koida, Takashi; Sai, Hitoshi; Kondo, Michio
Thin Solid Films, Vol. 518, Issue 11
DOI: 10.1016/j.tsf.2009.08.060

Electrical Conductivity and Growth of Single‐Crystal Indium Sesquioxide
journal, October 1964

Remeika, J. P.; Spencer, E. G.
Journal of Applied Physics, Vol. 35, Issue 10
DOI: 10.1063/1.1713110

Shallow donor state of hydrogen in ${In}_{2} O_{3}$ and ${SnO}_{2}$ : Implications for conductivity in transparent conducting oxides
journal, August 2009

King, P. D. C.; Lichti, R. L.; Celebi, Y. G.
Physical Review B, Vol. 80, Issue 8
DOI: 10.1103/PhysRevB.80.081201

The high temperature behavior of In2O3
journal, March 1975

de Wit, J. H. W.
Journal of Solid State Chemistry, Vol. 13, Issue 3
DOI: 10.1016/0022-4596(75)90118-8

Hydrogen-doped In₂O₃ as High-mobility Transparent Conductive Oxide
July 2007

Koida, Takashi; Fujiwara, Hiroyuki; Kondo, Michio
DOI: 10.1143/JJAP.46.L685

Identification of the native defect doping mechanism in amorphous indium zinc oxide thin films studied using ultra high pressure oxidation
journal, February 2013

Lee, Sunghwan; Paine, David C.
Applied Physics Letters, Vol. 102, Issue 5
DOI: 10.1063/1.4790187

Evaporated Sn‐doped In ₂ O ₃ films: Basic optical properties and applications to energy‐efficient windows
journal, December 1986

Hamberg, I.; Granqvist, C. G.
Journal of Applied Physics, Vol. 60, Issue 11
DOI: 10.1063/1.337534

Behaviour of hydrogen in wide band gap oxides
journal, May 2014

Li, H.; Robertson, J.
Journal of Applied Physics, Vol. 115, Issue 20
DOI: 10.1063/1.4878415

Hydrogen in oxide semiconductors
journal, May 2012

McCluskey, Matthew D.; Tarun, Marianne C.; Teklemichael, Samuel T.
Journal of Materials Research, Vol. 27, Issue 17
DOI: 10.1557/jmr.2012.137

Hydrogen doping in indium oxide: An ab initio study
journal, November 2009

Limpijumnong, Sukit; Reunchan, Pakpoom; Janotti, Anderson
Physical Review B, Vol. 80, Issue 19
DOI: 10.1103/PhysRevB.80.193202

Bulk and surface characterization of In $_{2}$ O $_{3}$ (001) single crystals
journal, March 2012

Hagleitner, Daniel R.; Menhart, Manfred; Jacobson, Peter
Physical Review B, Vol. 85, Issue 11
DOI: 10.1103/PhysRevB.85.115441

The configuration and diffusion of isolated oxygen in silicon and germanium
journal, August 1964

Corbett, J. W.; McDonald, R. S.; Watkins, G. D.
Journal of Physics and Chemistry of Solids, Vol. 25, Issue 8
DOI: 10.1016/0022-3697(64)90100-3

The 3942- ${cm}^{- 1}$ optical band in irradiated silicon
journal, February 1987

Davies, Gordon; Lightowlers, Edward C.; Stavola, Michael
Physical Review B, Vol. 35, Issue 6
DOI: 10.1103/PhysRevB.35.2755

Electron concentration and mobility in In2O3
journal, January 1977

De Wit, J. H. W.; Van Unen, G.; Lahey, M.
Journal of Physics and Chemistry of Solids, Vol. 38, Issue 8
DOI: 10.1016/0022-3697(77)90117-2

Contrasting the theoretical properties of hydrogen in SnO2, In2O3, and TiO2
conference, January 2014

Fowler, W. Beall; Stavola, Michael; Bekisli, Figen
INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS 2013: Proceedings of the 27th International Conference on Defects in Semiconductors, ICDS-2013, AIP Conference Proceedings
DOI: 10.1063/1.4865670

n -type doping of oxides by hydrogen
journal, July 2002

Kılıç, Çetin; Zunger, Alex
Applied Physics Letters, Vol. 81, Issue 1
DOI: 10.1063/1.1482783

Works referencing / citing this record:

Hydrogen motion in rutile TiO2
journal, December 2017

Hupfer, A. J.; Monakhov, E. V.; Svensson, B. G.
Scientific Reports, Vol. 7, Issue 1
DOI: 10.1038/s41598-017-16660-3

Diffusivity of the interstitial hydrogen shallow donor in In ₂ O ₃
journal, April 2018

Qin, Ying; Weiser, Philip; Villalta, Karla
Journal of Applied Physics, Vol. 123, Issue 16
DOI: 10.1063/1.4995593

A review of Ga ₂ O ₃ materials, processing, and devices
journal, March 2018

Pearton, S. J.; Yang, Jiancheng; Cary, Patrick H.
Applied Physics Reviews, Vol. 5, Issue 1
DOI: 10.1063/1.5006941

Tutorial: Novel properties of defects in semiconductors revealed by their vibrational spectra
journal, April 2018

Stavola, Michael; Fowler, W. Beall
Journal of Applied Physics, Vol. 123, Issue 16
DOI: 10.1063/1.5011036

Hydrogen motion in rutile TiO2
journal, December 2017

Hupfer, A. J.; Monakhov, E. V.; Svensson, B. G.
Scientific Reports, Vol. 7, Issue 1
DOI: 10.1038/s41598-017-16660-3

Similar Records in DOE PAGES and OSTI.GOV collections:

Diffusivity of the interstitial hydrogen shallow donor in In₂O₃

Journal Article Qin, Ying ; Weiser, Philip ; Villalta, Karla ; ... - Journal of Applied Physics

Hydrogen has been found to be an n-type dopant in In₂O₃ that gives rise to unintentional conductivity. An infrared (IR) absorption line observed at 3306 cm^–1 has been assigned to the H_i⁺ center. In this work, two types of experiments have been performed to determine the diffusivity of H_i⁺ in In₂O₃ from its IR absorption spectra. (i) At temperatures near 700 K, the O-H line at 3306 cm^–1 has been used to determine the diffusivity of H_i⁺ from its in-diffusion and out-diffusion behaviors. (ii) At temperatures near 160 K, stress has been used to produce a preferential alignment of themore »« less
Cited by 4
https://doi.org/10.1063/1.4995593

Full Text Available
Hydrogen centers and the conductivity of In₂O₃ single crystals

Journal Article Yin, Weikai ; Smithe, Kirby ; Weiser, Philip ; ... - Physical Review B

A series of infrared absorption experiments and complementary theory have been performed in order to determine the properties of OH and OD centers in In₂O₃ single crystals. Annealing In₂O₃ samples in H₂ or D₂ at temperatures near 450°C produces an n-type layer ≈0.06mm thick with an n-type doping of 1.6×1019 cm^-3. The resulting free-carrier absorption is correlated with an OH center with a vibrational frequency of 3306 cm^-1 that we associate with interstitial H⁺. Additional O-H (O-D) vibrational lines are assigned to metastable configurations of the interstitial H⁺(D⁺) center and complexes of H (D) with In vacancies. In addition, unlikemore »« less
Cited by 32
https://doi.org/10.1103/PhysRevB.91.075208

Full Text Available
New method to determine the chemical composition and structure of non-elemental acceptor and donor centers in ultra-pure germanium

Conference Haller, E E

A new approach towards the understanding of hitherto unknown, non-elemental acceptors and donors which can limit the purity of ultra-pure germanium has been explored for a specific pair of shallow centers, designated A/sub 2/ and D. Using photoelectric spectroscopy, we have demonstrated that an isotope shift in the ground-state binding energy occurs when the germanium crystals are grown in pure deuterium instead of in the usual pure hydrogen atmosphere. This isotope shift is the most direct proof of the presence of hydrogen atoms in the centers A/sub 2/ and D. Applying uniaxial stress to Ge samples containing A/sub 2/ andmore »« less
Full Text Available
Study of oxygen complexes and hydrogen-related centers in silicon using electron paramagnetic resonance and Fourier transform infrared spectroscopy

Miscellaneous Veloarisoa, I A

This dissertation presents a study of oxygen- and hydrogen-related complexes in silicon using electron paramagnetic resonance (EPR) and Fourier transform infrared (FTIR) spectroscopy. Results are described from the study of two oxygen complexes in silicon. Prolonged heat treatment of oxygen-rich silicon at temperatures around 450[degrees]C usually generates thermal donors (TD). The TDs in silicon formed during the early stage of growth-TD0, TD1 and TD2-display metastable properties. Investigation of the metastable property of TD1 and TD2 has been carried out to identify the atomic structure of the various configurations and the mechanism of interconversions of these metastable Tds. TD3 may alsomore »« less
Migration of Ga vacancies and interstitials in β – Ga 2 O 3

Journal Article Frodason, Ymir K. ; Varley, Joel B. ; Johansen, Klaus Magnus H. ; ... - Physical Review. B

Pathways and energy barriers for the migration of Ga vacancies (V_Ga) and Ga interstitials (Ga_i) in β–Ga₂O₃ are explored using hybrid functional calculations and the nudged elastic band method. Considering β–Ga₂O₃ as primarily being an n-type semiconductor, we focus on defect charge states relevant under such conditions:more »« less
https://doi.org/10.1103/physrevb.107.024109

Full Text Available

Similar Records

Title: Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In2O3

Abstract

Citation Formats

Hydrogen multicentre bonds journal, December 2006

Hydrogen as a Cause of Doping in Zinc Oxide journal, July 2000

Hydrogen centers and the conductivity of I n 2 O 3 single crystals journal, February 2015

Conductivity in transparent oxide semiconductors journal, August 2011

Motional characteristics of positively charged muonium defects in In2O3 conference, January 2014

Application of hydrogen-doped In2O3 transparent conductive oxide to thin-film microcrystalline Si solar cells journal, March 2010

Electrical Conductivity and Growth of Single‐Crystal Indium Sesquioxide journal, October 1964

Shallow donor state of hydrogen in In 2 O 3 and SnO 2 : Implications for conductivity in transparent conducting oxides journal, August 2009

The high temperature behavior of In2O3 journal, March 1975

Hydrogen-doped In2O3 as High-mobility Transparent Conductive Oxide July 2007

Identification of the native defect doping mechanism in amorphous indium zinc oxide thin films studied using ultra high pressure oxidation journal, February 2013

Evaporated Sn‐doped In 2 O 3 films: Basic optical properties and applications to energy‐efficient windows journal, December 1986

Behaviour of hydrogen in wide band gap oxides journal, May 2014

Hydrogen in oxide semiconductors journal, May 2012

Hydrogen doping in indium oxide: An ab initio study journal, November 2009

Bulk and surface characterization of In 2 O 3 (001) single crystals journal, March 2012

The configuration and diffusion of isolated oxygen in silicon and germanium journal, August 1964

The 3942- cm − 1 optical band in irradiated silicon journal, February 1987

Electron concentration and mobility in In2O3 journal, January 1977

Contrasting the theoretical properties of hydrogen in SnO2, In2O3, and TiO2 conference, January 2014

n -type doping of oxides by hydrogen journal, July 2002

Hydrogen motion in rutile TiO2 journal, December 2017

Diffusivity of the interstitial hydrogen shallow donor in In 2 O 3 journal, April 2018

A review of Ga 2 O 3 materials, processing, and devices journal, March 2018

Tutorial: Novel properties of defects in semiconductors revealed by their vibrational spectra journal, April 2018

Hydrogen motion in rutile TiO2 journal, December 2017

Title: Symmetry and diffusivity of the interstitial hydrogen shallow-donor center in In₂O₃

Hydrogen multicentre bonds
journal, December 2006

Hydrogen as a Cause of Doping in Zinc Oxide
journal, July 2000

Hydrogen centers and the conductivity of $I n_{2} O_{3}$ single crystals
journal, February 2015

Conductivity in transparent oxide semiconductors
journal, August 2011

Motional characteristics of positively charged muonium defects in In2O3
conference, January 2014

Application of hydrogen-doped In2O3 transparent conductive oxide to thin-film microcrystalline Si solar cells
journal, March 2010

Electrical Conductivity and Growth of Single‐Crystal Indium Sesquioxide
journal, October 1964

Shallow donor state of hydrogen in ${In}_{2} O_{3}$ and ${SnO}_{2}$ : Implications for conductivity in transparent conducting oxides
journal, August 2009

The high temperature behavior of In2O3
journal, March 1975

Hydrogen-doped In₂O₃ as High-mobility Transparent Conductive Oxide
July 2007

Identification of the native defect doping mechanism in amorphous indium zinc oxide thin films studied using ultra high pressure oxidation
journal, February 2013

Evaporated Sn‐doped In ₂ O ₃ films: Basic optical properties and applications to energy‐efficient windows
journal, December 1986

Behaviour of hydrogen in wide band gap oxides
journal, May 2014

Hydrogen in oxide semiconductors
journal, May 2012

Hydrogen doping in indium oxide: An ab initio study
journal, November 2009

Bulk and surface characterization of In $_{2}$ O $_{3}$ (001) single crystals
journal, March 2012

The configuration and diffusion of isolated oxygen in silicon and germanium
journal, August 1964

The 3942- ${cm}^{- 1}$ optical band in irradiated silicon
journal, February 1987

Electron concentration and mobility in In2O3
journal, January 1977

Contrasting the theoretical properties of hydrogen in SnO2, In2O3, and TiO2
conference, January 2014

n -type doping of oxides by hydrogen
journal, July 2002

Hydrogen motion in rutile TiO2
journal, December 2017

Diffusivity of the interstitial hydrogen shallow donor in In ₂ O ₃
journal, April 2018

A review of Ga ₂ O ₃ materials, processing, and devices
journal, March 2018

Tutorial: Novel properties of defects in semiconductors revealed by their vibrational spectra
journal, April 2018

Hydrogen motion in rutile TiO2
journal, December 2017