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Title: First-principles calculation of the bulk photovoltaic effect in KNbO 3 and (K,Ba)(Ni,Nb) O 3 δ

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG02-07ER46431
OSTI ID:
1181002
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Vol. 91 Journal Issue: 16; ISSN 1098-0121
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 51 works
Citation information provided by
Web of Science

References (50)

Heterogeneous photocatalyst materials for water splitting journal January 2009
Low-Temperature Solution-Processed Perovskite Solar Cells with High Efficiency and Flexibility journal January 2014
Hybrid functionals based on a screened Coulomb potential journal May 2003
Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics journal January 2000
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Surface Space-Charge Layers in Barium Titanate journal May 1956
Wide bandgap tunability in complex transition metal oxides by site-specific substitution journal January 2012
Local-Strain-Induced Charge Carrier Separation and Electronic Structure Modulation in Zigzag ZnO Nanotubes: Role of Built-In Polarization Electric Field journal December 2010
Doping BiFeO3: approaches and enhanced functionality journal January 2012
Chemical Substitution-Induced Ferroelectric Polarization Rotation in BiFeO3 journal March 2011
Comparison of non-linear optical susceptibilities of KNbO3 and LiNbO3 journal September 1997
Anomalous bulk photovoltaic effect in ferroelectrics: A quadratic response theory journal February 1979
Incidence of ferroelectric phase transitions on the electronic structure of potassium niobate journal March 1981
New Highly Polar Semiconductor Ferroelectrics through d 8 Cation-O Vacancy Substitution into PbTiO 3 : A Theoretical Study journal December 2008
Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO 3 journal February 2009
First Principles Calculation of the Shift Current Photovoltaic Effect in Ferroelectrics journal September 2012
Semiconducting ferroelectric photovoltaics through Zn 2 + doping into KNbO 3 and polarization rotation journal June 2014
Doping of WO 3 for Photocatalytic Water Splitting: Hints from Density Functional Theory journal April 2012
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties journal July 2013
Significant enhancement in the visible light photocatalytic properties of BiFeO 3 –graphene nanohybrids journal January 2013
Band-gap engineering via local environment in complex oxides journal June 2011
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method journal January 2005
Band gap engineering strategy via polarization rotation in perovskite ferroelectrics journal April 2014
High‐voltage bulk photovoltaic effect and the photorefractive process in LiNbO 3 journal August 1974
Theory of the bulk photovoltaic effect in pure crystals journal May 1981
Rational Band Gap Engineering of WO3 Photocatalyst for Visible light Water Splitting journal March 2012
Photovoltaic properties of Bi2FeCrO6 epitaxial thin films journal May 2011
Bulk Photovoltaic Effect at Visible Wavelength in Epitaxial Ferroelectric BiFeO 3 Thin Films journal April 2010
On the preparation of pure, doped and reduced KNbO3 single crystals journal May 1978
Special points for Brillouin-zone integrations journal June 1976
Systematic variations in structural and electronic properties of BiFeO3 by A-site substitution journal January 2010
Post density functional theoretical studies of highly polar semiconductive Pb(Ti 1 x Ni x )O 3 x solid solutions: Effects of cation arrangement on band gap journal May 2011
Computational design of low-band-gap double perovskites journal October 2012
Semiconducting ferroelectric perovskites with intermediate bands via B -site Bi 5 + doping journal August 2014
Effect of Pb/(Zr+Ti) molar ratio on the photovoltaic properties of lead zirconate-titanate ceramics journal June 1999
First-Principles Calculation of the Bulk Photovoltaic Effect in Bismuth Ferrite journal December 2012
Enlarging photovoltaic effect: combination of classic photoelectric and ferroelectric photovoltaic effects journal July 2013
Cooperative behavior of Zn cations in Bi-based perovskites: A comparison of (Bi,Sr) 2 ZnNbO 6 and (Bi,Sr) 2 MgNbO 6 journal March 2011
Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials journal November 2013
Theoretical study of the electronic structure, chemical bonding and optical properties of KNbO 3 in the paraelectric cubic phase journal August 2003
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells journal March 1961
Tunable band gap in Bi(Fe1−xMnx)O3 films journal May 2010
Above-bandgap voltages from ferroelectric photovoltaic devices journal January 2010
Photocatalyst releasing hydrogen from water journal March 2006
Tip-enhanced photovoltaic effects in bismuth ferrite journal March 2011
New high Tc multiferroics KBiFe2O5 with narrow band gap and promising photovoltaic effect journal February 2013
Optimized pseudopotentials journal January 1990
Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells journal October 2013
High efficient photovoltaics in nanoscaled ferroelectric thin films journal September 2008

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