Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide

Lebens-Higgins, Z.; Scanlon, D. O.; Paik, H.; Sallis, S.; Nie, Y.; Uchida, M.; Quackenbush, N. F.; Wahila, M. J.; Sterbinsky, G. E.; Arena, Dario A.; Woicik, J. C.; Schlom, D. G.; Piper, L. F. J.

doi:10.1103/PhysRevLett.116.027602

Title: Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide

Authors:: Lebens-Higgins, Z.; Scanlon, D. O.; Paik, H.; Sallis, S.; Nie, Y.; Uchida, M.; Quackenbush, N. F.; Wahila, M. J.; Sterbinsky, G. E.; Arena, Dario A.; Woicik, J. C.; Schlom, D. G.; Piper, L. F. J.

Publication Date:: Fri Jan 15 00:00:00 EST 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1372415

Alternate Identifier(s):: OSTI ID: 1235630

Grant/Contract Number:: AC02-98CH10886

Resource Type:: Published Article

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 116 Journal Issue: 2; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Lebens-Higgins, Z., Scanlon, D. O., Paik, H., Sallis, S., Nie, Y., Uchida, M., Quackenbush, N. F., Wahila, M. J., Sterbinsky, G. E., Arena, Dario A., Woicik, J. C., Schlom, D. G., and Piper, L. F. J. Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevLett.116.027602.

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                    Lebens-Higgins, Z., Scanlon, D. O., Paik, H., Sallis, S., Nie, Y., Uchida, M., Quackenbush, N. F., Wahila, M. J., Sterbinsky, G. E., Arena, Dario A., Woicik, J. C., Schlom, D. G., & Piper, L. F. J. Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide.  United States.  https://doi.org/10.1103/PhysRevLett.116.027602

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                    Lebens-Higgins, Z., Scanlon, D. O., Paik, H., Sallis, S., Nie, Y., Uchida, M., Quackenbush, N. F., Wahila, M. J., Sterbinsky, G. E., Arena, Dario A., Woicik, J. C., Schlom, D. G., and Piper, L. F. J. Fri .  
"Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide".  United States.  https://doi.org/10.1103/PhysRevLett.116.027602.

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@article{osti_1372415,

  title        = {Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide},

  author       = {Lebens-Higgins, Z. and Scanlon, D. O. and Paik, H. and Sallis, S. and Nie, Y. and Uchida, M. and Quackenbush, N. F. and Wahila, M. J. and Sterbinsky, G. E. and Arena, Dario A. and Woicik, J. C. and Schlom, D. G. and Piper, L. F. J.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.116.027602},

  journal      = {Physical Review Letters},

  number       = 2,

  volume       = 116,

  place        = {United States},

  year         = {Fri Jan 15 00:00:00 EST 2016},

  month        = {Fri Jan 15 00:00:00 EST 2016}

}

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Works referenced in this record:

Transparent Conducting Oxides for Photovoltaics
journal, March 2007

Fortunato, Elvira; Ginley, David; Hosono, Hideo
MRS Bulletin, Vol. 32, Issue 03, p. 242-247
DOI: 10.1557/mrs2007.29

Hard x-ray photoelectron spectroscopy as a probe of the intrinsic electronic properties of CdO
journal, January 2014

Mudd, J. J.; Lee, Tien-Lin; Muñoz-Sanjosé, V.
Physical Review B, Vol. 89, Issue 3
DOI: 10.1103/PhysRevB.89.035203

La-doped BaSnO ₃ —Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy
journal, July 2013

Sallis, S.; Scanlon, D. O.; Chae, S. C.
Applied Physics Letters, Vol. 103, Issue 4
DOI: 10.1063/1.4816511

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Band-gap narrowing in heavily doped many-valley semiconductors
journal, August 1981

Berggren, K. -F.; Sernelius, B. E.
Physical Review B, Vol. 24, Issue 4
DOI: 10.1103/PhysRevB.24.1971

Optical band gap of BiFeO3 grown by molecular-beam epitaxy
journal, April 2008

Ihlefeld, J. F.; Podraza, N. J.; Liu, Z. K.
Applied Physics Letters, Vol. 92, Issue 14
DOI: 10.1063/1.2901160

The Interpretation of the Properties of Indium Antimonide
journal, October 1954

Moss, T. S.
Proceedings of the Physical Society. Section B, Vol. 67, Issue 10
DOI: 10.1088/0370-1301/67/10/306

High near-infrared transparency and carrier mobility of Mo doped In2O3 thin films for optoelectronics applications
journal, September 2009

Parthiban, S.; Elangovan, E.; Ramamurthi, K.
Journal of Applied Physics, Vol. 106, Issue 6
DOI: 10.1063/1.3224946

Alkaline earth stannates: The next silicon?
journal, June 2015

Ismail-Beigi, Sohrab; Walker, Frederick J.; Cheong, Sang-Wook
APL Materials, Vol. 3, Issue 6
DOI: 10.1063/1.4921338

Sources of Electrical Conductivity in ${SnO}_{2}$
journal, July 2008

Singh, Abhishek Kumar; Janotti, Anderson; Scheffler, Matthias
Physical Review Letters, Vol. 101, Issue 5
DOI: 10.1103/PhysRevLett.101.055502

Oxide Interfaces--An Opportunity for Electronics
journal, March 2010

Mannhart, J.; Schlom, D. G.
Science, Vol. 327, Issue 5973, p. 1607-1611
DOI: 10.1126/science.1181862

Perovskite Sr-Doped LaCrO ₃ as a New p-Type Transparent Conducting Oxide
journal, August 2015

Zhang, Kelvin H. L.; Du, Yingge; Papadogianni, Alexandra
Advanced Materials, Vol. 27, Issue 35
DOI: 10.1002/adma.201501959

Theoretical and experimental study of the structural, dynamical and dielectric properties of perovskite BaSnO ₃
journal, March 2008

Bévillon, Émile; Chesnaud, Anthony; Wang, Yanzhong
Journal of Physics: Condensed Matter, Vol. 20, Issue 14
DOI: 10.1088/0953-8984/20/14/145217

Origins of band-gap renormalization in degenerately doped semiconductors
journal, August 2008

Walsh, Aron; Da Silva, Juarez L. F.; Wei, Su-Huai
Physical Review B, Vol. 78, Issue 7
DOI: 10.1103/PhysRevB.78.075211

Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory
journal, September 2011

Burbano, Mario; Scanlon, David O.; Watson, Graeme W.
Journal of the American Chemical Society, Vol. 133, Issue 38
DOI: 10.1021/ja204639y

Adsorption-controlled growth of PbTiO3 by reactive molecular beam epitaxy
journal, July 1998

Theis, C. D.; Yeh, J.; Schlom, D. G.
Thin Solid Films, Vol. 325, Issue 1-2
DOI: 10.1016/S0040-6090(98)00507-0

Role of lone pair electrons in determining the optoelectronic properties of BiCuOSe
journal, February 2012

Sallis, S.; Piper, L. F. J.; Francis, J.
Physical Review B, Vol. 85, Issue 8
DOI: 10.1103/PhysRevB.85.085207

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

High Mobility in a Stable Transparent Perovskite Oxide
journal, May 2012

Kim, Hyung Joon; Kim, Useong; Kim, Hoon Min
Applied Physics Express, Vol. 5, Issue 6
DOI: 10.1143/APEX.5.061102

Toward reliable density functional methods without adjustable parameters: The PBE0 model
journal, April 1999

Adamo, Carlo; Barone, Vincenzo
The Journal of Chemical Physics, Vol. 110, Issue 13
DOI: 10.1063/1.478522

Final-state effects in the x-ray photoelectron spectra of cubic sodium-tungsten bronzes
journal, July 1977

Chazalviel, J. -N.; Campagna, M.; Wertheim, G. K.
Physical Review B, Vol. 16, Issue 2
DOI: 10.1103/PhysRevB.16.697

Differentiation of tin oxides using electron energy-loss spectroscopy
journal, June 2004

Moreno, M. S.; Egerton, R. F.; Midgley, P. A.
Physical Review B, Vol. 69, Issue 23
DOI: 10.1103/PhysRevB.69.233304

On the possibility of p-type SnO2
journal, January 2012

Scanlon, David O.; Watson, Graeme W.
Journal of Materials Chemistry, Vol. 22, Issue 48
DOI: 10.1039/c2jm34352e

Aufdampfschichten aus halbleitenden III?V-Verbindungen
journal, January 1958

G�nther, K. G.
Die Naturwissenschaften, Vol. 45, Issue 17
DOI: 10.1007/BF00603228

Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory
journal, July 2013

Quackenbush, N. F.; Allen, J. P.; Scanlon, D. O.
Chemistry of Materials, Vol. 25, Issue 15
DOI: 10.1021/cm401343a

Structural, electrical, and optical properties of atomic layer deposition Al-doped ZnO films
journal, August 2010

Banerjee, Parag; Lee, Won-Jae; Bae, Ki-Ryeol
Journal of Applied Physics, Vol. 108, Issue 4
DOI: 10.1063/1.3466987

Anomalous Optical Absorption Limit in InSb
journal, February 1954

Burstein, Elias
Physical Review, Vol. 93, Issue 3
DOI: 10.1103/PhysRev.93.632

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004

Ohtomo, A.; Hwang, H. Y.
Nature, Vol. 427, Issue 6973
DOI: 10.1038/nature02308

Infrared-optical spectroscopy of transparent conducting perovskite (La,Ba)SnO ₃ thin films
journal, January 2014

Seo, Dongmin; Yu, Kwangnam; Jun Chang, Young
Applied Physics Letters, Vol. 104, Issue 2
DOI: 10.1063/1.4861776

All-perovskite transparent high mobility field effect using epitaxial BaSnO ₃ and LaInO ₃
journal, March 2015

Kim, Useong; Park, Chulkwon; Ha, Taewoo
APL Materials, Vol. 3, Issue 3
DOI: 10.1063/1.4913587

Intrinsic $n$ -Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of ${In}_{2} O_{3}$ , ${SnO}_{2}$ , and ZnO
journal, December 2009

Ágoston, Péter; Albe, Karsten; Nieminen, Risto M.
Physical Review Letters, Vol. 103, Issue 24
DOI: 10.1103/PhysRevLett.103.245501

Effects of the narrow band gap on the properties of InN
journal, November 2002

Wu, J.; Walukiewicz, W.; Shan, W.
Physical Review B, Vol. 66, Issue 20
DOI: 10.1103/PhysRevB.66.201403

Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology
journal, September 2010

Ágoston, Péter; Körber, Christoph; Klein, Andreas
Journal of Applied Physics, Vol. 108, Issue 5
DOI: 10.1063/1.3467780

Transparent Conducting Oxides
journal, August 2000

Ginley, David S.; Bright, Clark
MRS Bulletin, Vol. 25, Issue 8
DOI: 10.1557/mrs2000.256

Defect engineering of BaSnO $_{3}$ for high-performance transparent conducting oxide applications
journal, April 2013

Scanlon, David O.
Physical Review B, Vol. 87, Issue 16
DOI: 10.1103/PhysRevB.87.161201

Surface electronic states in three-dimensional SnO2 nanostructures
journal, July 2005

Kucheyev, S.; Baumann, T.; Sterne, P.
Physical Review B, Vol. 72, Issue 3
DOI: 10.1103/PhysRevB.72.035404

Strain Tuning of Ferroelectric Thin Films
journal, August 2007

Schlom, Darrell G.; Chen, Long-Qing; Eom, Chang-Beom
Annual Review of Materials Research, Vol. 37, Issue 1
DOI: 10.1146/annurev.matsci.37.061206.113016

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Title: Direct Observation of Electrostatically Driven Band Gap Renormalization in a Degenerate Perovskite Transparent Conducting Oxide

Citation Formats

Transparent Conducting Oxides for Photovoltaics journal, March 2007

Hard x-ray photoelectron spectroscopy as a probe of the intrinsic electronic properties of CdO journal, January 2014

La-doped BaSnO 3 —Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy journal, July 2013

Generalized Gradient Approximation Made Simple journal, October 1996

Band-gap narrowing in heavily doped many-valley semiconductors journal, August 1981

Optical band gap of BiFeO3 grown by molecular-beam epitaxy journal, April 2008

The Interpretation of the Properties of Indium Antimonide journal, October 1954

High near-infrared transparency and carrier mobility of Mo doped In2O3 thin films for optoelectronics applications journal, September 2009

Alkaline earth stannates: The next silicon? journal, June 2015

Sources of Electrical Conductivity in SnO 2 journal, July 2008

Oxide Interfaces--An Opportunity for Electronics journal, March 2010

Perovskite Sr-Doped LaCrO 3 as a New p-Type Transparent Conducting Oxide journal, August 2015

Theoretical and experimental study of the structural, dynamical and dielectric properties of perovskite BaSnO 3 journal, March 2008

Origins of band-gap renormalization in degenerately doped semiconductors journal, August 2008

Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory journal, September 2011

Adsorption-controlled growth of PbTiO3 by reactive molecular beam epitaxy journal, July 1998

Role of lone pair electrons in determining the optoelectronic properties of BiCuOSe journal, February 2012

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

High Mobility in a Stable Transparent Perovskite Oxide journal, May 2012

Toward reliable density functional methods without adjustable parameters: The PBE0 model journal, April 1999

Final-state effects in the x-ray photoelectron spectra of cubic sodium-tungsten bronzes journal, July 1977

Differentiation of tin oxides using electron energy-loss spectroscopy journal, June 2004

On the possibility of p-type SnO2 journal, January 2012

Aufdampfschichten aus halbleitenden III?V-Verbindungen journal, January 1958

Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory journal, July 2013

Structural, electrical, and optical properties of atomic layer deposition Al-doped ZnO films journal, August 2010

Anomalous Optical Absorption Limit in InSb journal, February 1954

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface journal, January 2004

Infrared-optical spectroscopy of transparent conducting perovskite (La,Ba)SnO 3 thin films journal, January 2014

All-perovskite transparent high mobility field effect using epitaxial BaSnO 3 and LaInO 3 journal, March 2015

Intrinsic n -Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In 2 O 3 , SnO 2 , and ZnO journal, December 2009

Effects of the narrow band gap on the properties of InN journal, November 2002

Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology journal, September 2010

Transparent Conducting Oxides journal, August 2000

Defect engineering of BaSnO 3 for high-performance transparent conducting oxide applications journal, April 2013

Surface electronic states in three-dimensional SnO2 nanostructures journal, July 2005

Strain Tuning of Ferroelectric Thin Films journal, August 2007

Transparent Conducting Oxides for Photovoltaics
journal, March 2007

Hard x-ray photoelectron spectroscopy as a probe of the intrinsic electronic properties of CdO
journal, January 2014

La-doped BaSnO ₃ —Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy
journal, July 2013

Generalized Gradient Approximation Made Simple
journal, October 1996

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journal, August 1981

Optical band gap of BiFeO3 grown by molecular-beam epitaxy
journal, April 2008

The Interpretation of the Properties of Indium Antimonide
journal, October 1954

High near-infrared transparency and carrier mobility of Mo doped In2O3 thin films for optoelectronics applications
journal, September 2009

Alkaline earth stannates: The next silicon?
journal, June 2015

Sources of Electrical Conductivity in ${SnO}_{2}$
journal, July 2008

Oxide Interfaces--An Opportunity for Electronics
journal, March 2010

Perovskite Sr-Doped LaCrO ₃ as a New p-Type Transparent Conducting Oxide
journal, August 2015

Theoretical and experimental study of the structural, dynamical and dielectric properties of perovskite BaSnO ₃
journal, March 2008

Origins of band-gap renormalization in degenerately doped semiconductors
journal, August 2008

Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory
journal, September 2011

Adsorption-controlled growth of PbTiO3 by reactive molecular beam epitaxy
journal, July 1998

Role of lone pair electrons in determining the optoelectronic properties of BiCuOSe
journal, February 2012

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

High Mobility in a Stable Transparent Perovskite Oxide
journal, May 2012

Toward reliable density functional methods without adjustable parameters: The PBE0 model
journal, April 1999

Final-state effects in the x-ray photoelectron spectra of cubic sodium-tungsten bronzes
journal, July 1977

Differentiation of tin oxides using electron energy-loss spectroscopy
journal, June 2004

On the possibility of p-type SnO2
journal, January 2012

Aufdampfschichten aus halbleitenden III?V-Verbindungen
journal, January 1958

Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory
journal, July 2013

Structural, electrical, and optical properties of atomic layer deposition Al-doped ZnO films
journal, August 2010

Anomalous Optical Absorption Limit in InSb
journal, February 1954

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004

Infrared-optical spectroscopy of transparent conducting perovskite (La,Ba)SnO ₃ thin films
journal, January 2014

All-perovskite transparent high mobility field effect using epitaxial BaSnO ₃ and LaInO ₃
journal, March 2015

Intrinsic $n$ -Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of ${In}_{2} O_{3}$ , ${SnO}_{2}$ , and ZnO
journal, December 2009

Effects of the narrow band gap on the properties of InN
journal, November 2002

Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology
journal, September 2010

Transparent Conducting Oxides
journal, August 2000

Defect engineering of BaSnO $_{3}$ for high-performance transparent conducting oxide applications
journal, April 2013

Surface electronic states in three-dimensional SnO2 nanostructures
journal, July 2005

Strain Tuning of Ferroelectric Thin Films
journal, August 2007