Theoretical limits on the stability of single-phase kesterite-Cu2ZnSnS4
- Authors:
-
[1]
- Department of Physics, University of Texas at Arlington, Arlington, Texas 76019, USA
- National Renewable Energy Laboratory, Golden, Colorado 80401, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1228496
- Grant/Contract Number:
- AC36-08GO28308; XEJ-9-99042-01
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Name: Journal of Applied Physics Journal Volume: 117 Journal Issue: 3; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Sarker, Pranab, Al-Jassim, Mowafak M., and Huda, Muhammad N. Theoretical limits on the stability of single-phase kesterite-Cu2ZnSnS4. United States: N. p., 2015.
Web. doi:10.1063/1.4906065.
Sarker, Pranab, Al-Jassim, Mowafak M., & Huda, Muhammad N. Theoretical limits on the stability of single-phase kesterite-Cu2ZnSnS4. United States. https://doi.org/10.1063/1.4906065
Sarker, Pranab, Al-Jassim, Mowafak M., and Huda, Muhammad N. Fri .
"Theoretical limits on the stability of single-phase kesterite-Cu2ZnSnS4". United States. https://doi.org/10.1063/1.4906065.
@article{osti_1228496,
title = {Theoretical limits on the stability of single-phase kesterite-Cu2ZnSnS4},
author = {Sarker, Pranab and Al-Jassim, Mowafak M. and Huda, Muhammad N.},
abstractNote = {},
doi = {10.1063/1.4906065},
journal = {Journal of Applied Physics},
number = 3,
volume = 117,
place = {United States},
year = {Fri Jan 16 00:00:00 EST 2015},
month = {Fri Jan 16 00:00:00 EST 2015}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.4906065
https://doi.org/10.1063/1.4906065
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 19 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
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
Predicting a new photocatalyst and its electronic properties by density functional theory
journal, October 2013
- Sarker, Pranab; Prasher, Dixit; Gaillard, Nicolas
- Journal of Applied Physics, Vol. 114, Issue 13
Thin film solar cell with 8.4% power conversion efficiency using an earth-abundant Cu 2 ZnSnS 4 absorber : Cu
journal, November 2011
- Shin, Byungha; Gunawan, Oki; Zhu, Yu
- Progress in Photovoltaics: Research and Applications, Vol. 21, Issue 1
Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
journal, May 2009
- Stroppa, A.; Kresse, G.
- Physical Review B, Vol. 79, Issue 20
Theoretical analysis of the effect of conduction band offset of window/CIS layers on performance of CIS solar cells using device simulation
journal, March 2001
- Minemoto, Takashi; Matsui, Takuya; Takakura, Hideyuki
- Solar Energy Materials and Solar Cells, Vol. 67, Issue 1-4
The Influence of the Composition Ratio on CZTS-based Thin Film Solar Cells
journal, January 2009
- Katagiri, Hironori; Jimbo, Kazuo; Tahara, Masami
- MRS Proceedings, Vol. 1165
Phase separation in induced by correlation effects
journal, May 2004
- Zhou, F.; Marianetti, C. A.; Cococcioni, M.
- Physical Review B, Vol. 69, Issue 20
Structural and elemental characterization of high efficiency Cu2ZnSnS4 solar cells
journal, January 2011
- Wang, Kejia; Shin, Byungha; Reuter, Kathleen B.
- Applied Physics Letters, Vol. 98, Issue 5
Earth-Abundant Element Photovoltaics Directly from Soluble Precursors with High Yield Using a Non-Toxic Solvent
journal, August 2011
- Ki, Wooseok; Hillhouse, Hugh W.
- Advanced Energy Materials, Vol. 1, Issue 5
Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods
journal, June 2011
- Botti, Silvana; Kammerlander, David; Marques, Miguel A. L.
- Applied Physics Letters, Vol. 98, Issue 24
as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study
journal, March 2009
- Paier, Joachim; Asahi, Ryoji; Nagoya, Akihiro
- Physical Review B, Vol. 79, Issue 11
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Hybrid functionals based on a screened Coulomb potential
journal, May 2003
- Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
- The Journal of Chemical Physics, Vol. 118, Issue 18
Near-infrared photoactive Cu 2 ZnSnS 4 thin films by co-sputtering
journal, August 2013
- Banavoth, Murali; Dias, Sandra; Krupanidhi, S. B.
- AIP Advances, Vol. 3, Issue 8
Study of polycrystalline Cu2ZnSnS4 films by Raman scattering
journal, July 2011
- Fernandes, P. A.; Salomé, P. M. P.; da Cunha, A. F.
- Journal of Alloys and Compounds, Vol. 509, Issue 28
Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
journal, March 1998
- Lichtenstein, A. I.; Katsnelson, M. I.
- Physical Review B, Vol. 57, Issue 12
Cu2ZnSnS4Cu2ZnSnS4 thin film solar cells prepared by non-vacuum processing
journal, May 2009
- Tanaka, Kunihiko; Oonuki, Masatoshi; Moritake, Noriko
- Solar Energy Materials and Solar Cells, Vol. 93, Issue 5
Three-Dimensional Visualization in Powder Diffraction
journal, December 2007
- Izumi, Fujio; Momma, Koichi
- Solid State Phenomena, Vol. 130
Optical excitation of deep defect levels in insulators within many-body perturbation theory: The center in calcium fluoride
journal, March 2008
- Ma, Yuchen; Rohlfing, Michael
- Physical Review B, Vol. 77, Issue 11
Progress in Thin Film Solar Cells Based on
journal, January 2011
- Wang, Hongxia
- International Journal of Photoenergy, Vol. 2011
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
journal, June 2007
- Ganduglia-Pirovano, M. Verónica; Hofmann, Alexander; Sauer, Joachim
- Surface Science Reports, Vol. 62, Issue 6
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
Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4
journal, January 2010
- Chen, Shiyou; Gong, X. G.; Walsh, Aron
- Applied Physics Letters, Vol. 96, Issue 2, Article No. 021902
Role of defects in ferromagnetism in : A hybrid density-functional study
journal, October 2006
- Patterson, C. H.
- Physical Review B, Vol. 74, Issue 14
Cu2ZnSnS4 thin film solar cells from electroplated precursors: Novel low-cost perspective
journal, February 2009
- Ennaoui, A.; Lux-Steiner, M.; Weber, A.
- Thin Solid Films, Vol. 517, Issue 7
Accurate prediction of defect properties in density functional supercell calculations
journal, November 2009
- Lany, Stephan; Zunger, Alex
- Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 8
Defect physics of the chalcopyrite semiconductor
journal, April 1998
- Zhang, S. B.; Wei, Su-Huai; Zunger, Alex
- Physical Review B, Vol. 57, Issue 16
Point defects in ZnO
journal, January 2007
- Sokol, Alexey A.; French, Samuel A.; Bromley, Stefan T.
- Faraday Discuss., Vol. 134
High-Efficiency Solar Cell with Earth-Abundant Liquid-Processed Absorber
journal, May 2010
- Todorov, Teodor K.; Reuter, Kathleen B.; Mitzi, David B.
- Advanced Materials, Vol. 22, Issue 20, p. E156-E159
Device characteristics of a 10.1% hydrazine-processed Cu2ZnSn(Se,S)4 solar cell: Characteristics of a 10.1% efficient kesterite solar cell
journal, September 2011
- Barkhouse, D. Aaron R.; Gunawan, Oki; Gokmen, Tayfun
- Progress in Photovoltaics: Research and Applications, Vol. 20, Issue 1
Defects Identified in SiC and Their Implications
journal, September 2008
- Bockstedte, M.; Marini, A.; Gali, Adam
- Materials Science Forum, Vol. 600-603
Kësterite thin films for photovoltaics : a review
journal, January 2012
- Delbos, S.
- EPJ Photovoltaics, Vol. 3
Hole localization in [AlO4]0 defects in silica materials
journal, April 2005
- To, Judy; Sokol, Alexey A.; French, Samuel A.
- The Journal of Chemical Physics, Vol. 122, Issue 14
Ab initio supercell calculations on aluminum-related defects in SiC
journal, January 2007
- Gali, A.; Hornos, T.; Son, N. T.
- Physical Review B, Vol. 75, Issue 4
Native point defects in ZnS: First-principles studies based on LDA, LDA+U and an extrapolation scheme
journal, April 2012
- Li, Ping; Deng, Shenghua; Zhang, Li
- Chemical Physics Letters, Vol. 531
19·9%-efficient ZnO/CdS/CuInGaSe 2 solar cell with 81·2% fill factor
journal, May 2008
- Repins, Ingrid; Contreras, Miguel A.; Egaas, Brian
- Progress in Photovoltaics: Research and Applications, Vol. 16, Issue 3
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
journal, June 2008
- Oba, Fumiyasu; Togo, Atsushi; Tanaka, Isao
- Physical Review B, Vol. 77, Issue 24
Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
journal, September 2006
- Batista, Enrique R.; Heyd, Jochen; Hennig, Richard G.
- Physical Review B, Vol. 74, Issue 12
Deep electron traps and origin of -type conductivity in the earth-abundant solar-cell material Cu ZnSnS
journal, April 2013
- Han, Dong; Sun, Y. Y.; Bang, Junhyeok
- Physical Review B, Vol. 87, Issue 15
Defect formation and phase stability of photovoltaic material
journal, March 2010
- Nagoya, Akihiro; Asahi, Ryoji; Wahl, Roman
- Physical Review B, Vol. 81, Issue 11
The path towards a high-performance solution-processed kesterite solar cell
journal, June 2011
- Mitzi, David B.; Gunawan, Oki; Todorov, Teodor K.
- Solar Energy Materials and Solar Cells, Vol. 95, Issue 6, p. 1421-1436
Native point defects in ZnO
journal, October 2007
- Janotti, Anderson; Van de Walle, Chris G.
- Physical Review B, Vol. 76, Issue 16
Growth and characterization of Cu 2 ZnSnS 4 single crystals : Growth and characterization of Cu
journal, May 2013
- Nagaoka, Akira; Yoshino, Kenji; Taniguchi, Hiroki
- physica status solidi (a), Vol. 210, Issue 7
Chemical composition dependence of morphological and optical properties of Cu2ZnSnS4 thin films deposited by sol–gel sulfurization and Cu2ZnSnS4 thin film solar cell efficiency
journal, March 2011
- Tanaka, Kunihiko; Fukui, Yuki; Moritake, Noriko
- Solar Energy Materials and Solar Cells, Vol. 95, Issue 3
Device Characteristics of CZTSSe Thin-Film Solar Cells with 12.6% Efficiency
journal, November 2013
- Wang, Wei; Winkler, Mark T.; Gunawan, Oki
- Advanced Energy Materials, Vol. 4, Issue 7, Article No. 1301465
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Dangling-bond defects and hydrogen passivation in germanium
journal, October 2007
- Weber, J. R.; Janotti, A.; Rinke, P.
- Applied Physics Letters, Vol. 91, Issue 14
First-principles study of Cu 2 ZnSnS 4 and the related band offsets for photovoltaic applications
journal, September 2011
- Nagoya, A.; Asahi, R.; Kresse, G.
- Journal of Physics: Condensed Matter, Vol. 23, Issue 40
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
-type doping of and
journal, July 2005
- Persson, Clas; Zhao, Yu-Jun; Lany, Stephan
- Physical Review B, Vol. 72, Issue 3
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
VESTA : a three-dimensional visualization system for electronic and structural analysis
journal, May 2008
- Momma, Koichi; Izumi, Fujio
- Journal of Applied Crystallography, Vol. 41, Issue 3
In-depth resolved Raman scattering analysis for the identification of secondary phases: Characterization of Cu2ZnSnS4 layers for solar cell applications
journal, May 2011
- Fontané, X.; Calvo-Barrio, L.; Izquierdo-Roca, V.
- Applied Physics Letters, Vol. 98, Issue 18
The role of secondary phase precipitation on grain boundary electrical activity in Cu 2 ZnSnS 4 (CZTS) photovoltaic absorber layer material
journal, December 2012
- Mendis, Budhika G.; Goodman, Max C. J.; Major, Jonathan D.
- Journal of Applied Physics, Vol. 112, Issue 12
Structural diversity and electronic properties of Cu Sn ( , Se): A first-principles investigation
journal, August 2011
- Zhai, Ying-Teng; Chen, Shiyou; Yang, Ji-Hui
- Physical Review B, Vol. 84, Issue 7
Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991
- Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
- Physical Review B, Vol. 44, Issue 3, p. 943-954
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992
- Perdew, John P.; Chevary, J. A.; Vosko, S. H.
- Physical Review B, Vol. 46, Issue 11
Determination of secondary phases in kesterite Cu 2 ZnSnS 4 thin films by x-ray absorption near edge structure analysis
journal, December 2011
- Just, Justus; Lützenkirchen-Hecht, Dirk; Frahm, Ronald
- Applied Physics Letters, Vol. 99, Issue 26
Electronic and crystal structure of : Full-potential electronic structure calculations
journal, November 2007
- Lukashev, Pavel; Lambrecht, Walter R. L.; Kotani, Takao
- Physical Review B, Vol. 76, Issue 19
Kesterite Thin-Film Solar Cells: Advances in Materials Modelling of Cu2ZnSnS4
journal, March 2012
- Walsh, Aron; Chen, Shiyou; Wei, Su-Huai
- Advanced Energy Materials, Vol. 2, Issue 4
Electronic structure of ZnO:GaN compounds: Asymmetric bandgap engineering
journal, November 2008
- Huda, Muhammad N.; Yan, Yanfa; Wei, Su-Huai
- Physical Review B, Vol. 78, Issue 19
First-principles study of γ-CuI for p-type transparent conducting materials
journal, March 2012
- Huang, Dan; Zhao, Yu-Jun; Li, Shen
- Journal of Physics D: Applied Physics, Vol. 45, Issue 14
Classification of Lattice Defects in the Kesterite Cu 2 ZnSnS 4 and Cu 2 ZnSnSe 4 Earth-Abundant Solar Cell Absorbers
journal, February 2013
- Chen, Shiyou; Walsh, Aron; Gong, Xin-Gao
- Advanced Materials, Vol. 25, Issue 11
Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994
- Blöchl, Peter E.; Jepsen, O.; Andersen, O. K.
- Physical Review B, Vol. 49, Issue 23
Intrinsic point defects and complexes in the quaternary kesterite semiconductor
journal, June 2010
- Chen, Shiyou; Yang, Ji-Hui; Gong, X. G.
- Physical Review B, Vol. 81, Issue 24
Passivation of oxygen vacancy states in HfO2 by nitrogen
journal, February 2006
- Xiong, K.; Robertson, J.; Clark, S. J.
- Journal of Applied Physics, Vol. 99, Issue 4
Understanding the relationship between Cu 2 ZnSn(S,Se) 4 material properties and device performance
journal, November 2014
- Gershon, Talia; Gokmen, Tayfun; Gunawan, Oki
- MRS Communications, Vol. 4, Issue 4
Reduced density matrix functional for many-electron systems
journal, November 2008
- Sharma, S.; Dewhurst, J. K.; Lathiotakis, N. N.
- Physical Review B, Vol. 78, Issue 20
New routes to sustainable photovoltaics: evaluation of Cu 2 ZnSnS 4 as an alternative absorber material
journal, September 2008
- Scragg, Jonathan J.; Dale, Philip J.; Peter, Laurence M.
- physica status solidi (b), Vol. 245, Issue 9
Model of native point defect equilibrium in Cu 2 ZnSnS 4 and application to one-zone annealing
journal, September 2013
- Kosyak, V.; Mortazavi Amiri, N. B.; Postnikov, A. V.
- Journal of Applied Physics, Vol. 114, Issue 12