Reactive phosphine combinatorial co-sputtering of cation disordered ZnGeP2 films
Abstract
The discovery of new materials by coupling high-throughput synthesis with computational screening is being increasingly adopted. However, thus far, phosphides have been largely overlooked for both computational screening and high-throughput synthesis. In this paper, we report on the use of a high-throughput synthesis technique, reactive combinatorial co-sputtering with PH3, to deposit ZnGeP2 thin films. We grew amorphous films over a wide range of compositions and found an upper limit in growth temperature determined by Zn and P volatility. We found that depositing in a Ge-limited regime could be utilized to slow the growth rate to compensate for the desorption of the Zn and P. Crystalline films were achieved by depositing films at higher temperatures in this Ge-limited regime with a reduced deposition rate. X-ray diffraction revealed that the films had crystallized in the zinc blende, cation-disordered structure. The crystalline films exhibited optical absorption energy threshold values ranging from 0.8 to 1.3 eV. Increased Ge content was found in films that exhibited a decreased absorption onset energy. Native defect calculations were used to gain an understanding of the off-stoichiometry seen in these films. This work provides the first high-throughput investigation of ZnGeP2, demonstrating the ability to grow amorphous and cation disorderedmore »
- Authors:
-
[1];
[2];
[1];
[3];
[3];
[3];
[1];
[3];
[1];
[1]
- National Renewable Energy Lab. (NREL), Golden, CO (United States); Colorado School of Mines, Golden, CO (United States)
- Helmholtz-Zentrum Berlin (HZB), (Germany); Colorado School of Mines, Golden, CO (United States)
- Colorado School of Mines, Golden, CO (United States)
- Publication Date:
- Research Org.:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1839918
- Alternate Identifier(s):
- OSTI ID: 1836294
- Report Number(s):
- NREL/JA-5K00-80983
Journal ID: ISSN 2050-7526; MainId:79759;UUID:5c6a1870-21f8-46a5-a26c-074750157bb4;MainAdminID:63470
- Grant/Contract Number:
- AC36-08GO28308; E-AC36-08GO28308
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Materials Chemistry C
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 3; Journal ID: ISSN 2050-7526
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; cation disorder; phosphide sputtering; phosphine; reactive sputtering; thin film
Citation Formats
Schnepf, Rekha R., Crovetto, Andrea, Gorai, Prashun, Park, Anna, Holtz, Megan, Heinselman, Karen N., Bauers, Sage R., Brooks Tellekamp, M., Zakutayev, Andriy, Greenaway, Ann L., Toberer, Eric S., and Tamboli, Adele C. Reactive phosphine combinatorial co-sputtering of cation disordered ZnGeP2 films. United States: N. p., 2021.
Web. doi:10.1039/d1tc04695k.
Schnepf, Rekha R., Crovetto, Andrea, Gorai, Prashun, Park, Anna, Holtz, Megan, Heinselman, Karen N., Bauers, Sage R., Brooks Tellekamp, M., Zakutayev, Andriy, Greenaway, Ann L., Toberer, Eric S., & Tamboli, Adele C. Reactive phosphine combinatorial co-sputtering of cation disordered ZnGeP2 films. United States. https://doi.org/10.1039/d1tc04695k
Schnepf, Rekha R., Crovetto, Andrea, Gorai, Prashun, Park, Anna, Holtz, Megan, Heinselman, Karen N., Bauers, Sage R., Brooks Tellekamp, M., Zakutayev, Andriy, Greenaway, Ann L., Toberer, Eric S., and Tamboli, Adele C. Wed .
"Reactive phosphine combinatorial co-sputtering of cation disordered ZnGeP2 films". United States. https://doi.org/10.1039/d1tc04695k. https://www.osti.gov/servlets/purl/1839918.
@article{osti_1839918,
title = {Reactive phosphine combinatorial co-sputtering of cation disordered ZnGeP2 films},
author = {Schnepf, Rekha R. and Crovetto, Andrea and Gorai, Prashun and Park, Anna and Holtz, Megan and Heinselman, Karen N. and Bauers, Sage R. and Brooks Tellekamp, M. and Zakutayev, Andriy and Greenaway, Ann L. and Toberer, Eric S. and Tamboli, Adele C.},
abstractNote = {The discovery of new materials by coupling high-throughput synthesis with computational screening is being increasingly adopted. However, thus far, phosphides have been largely overlooked for both computational screening and high-throughput synthesis. In this paper, we report on the use of a high-throughput synthesis technique, reactive combinatorial co-sputtering with PH3, to deposit ZnGeP2 thin films. We grew amorphous films over a wide range of compositions and found an upper limit in growth temperature determined by Zn and P volatility. We found that depositing in a Ge-limited regime could be utilized to slow the growth rate to compensate for the desorption of the Zn and P. Crystalline films were achieved by depositing films at higher temperatures in this Ge-limited regime with a reduced deposition rate. X-ray diffraction revealed that the films had crystallized in the zinc blende, cation-disordered structure. The crystalline films exhibited optical absorption energy threshold values ranging from 0.8 to 1.3 eV. Increased Ge content was found in films that exhibited a decreased absorption onset energy. Native defect calculations were used to gain an understanding of the off-stoichiometry seen in these films. This work provides the first high-throughput investigation of ZnGeP2, demonstrating the ability to grow amorphous and cation disordered ZnGeP2 over a wide range of compositions with varying optical properties.},
doi = {10.1039/d1tc04695k},
journal = {Journal of Materials Chemistry C},
number = 3,
volume = 10,
place = {United States},
year = {Wed Dec 15 00:00:00 EST 2021},
month = {Wed Dec 15 00:00:00 EST 2021}
}
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Works referenced in this record:
Utilizing Site Disorder in the Development of New Energy-Relevant Semiconductors
journal, June 2020
- Schnepf, Rekha R.; Cordell, Jacob J.; Tellekamp, M. Brooks
- ACS Energy Letters
A map of the inorganic ternary metal nitrides
journal, June 2019
- Sun, Wenhao; Bartel, Christopher J.; Arca, Elisabetta
- Nature Materials, Vol. 18, Issue 7
Ternary Nitride Materials: Fundamentals and Emerging Device Applications
journal, July 2021
- Greenaway, Ann L.; Melamed, Celeste L.; Tellekamp, M. Brooks
- Annual Review of Materials Research, Vol. 51, Issue 1
Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies
journal, March 2017
- Green, M. L.; Choi, C. L.; Hattrick-Simpers, J. R.
- Applied Physics Reviews, Vol. 4, Issue 1
High-Throughput Design of Non-oxide p-Type Transparent Conducting Materials: Data Mining, Search Strategy, and Identification of Boron Phosphide
journal, November 2016
- Varley, Joel B.; Miglio, Anna; Ha, Viet-Anh
- Chemistry of Materials, Vol. 29, Issue 6
Solar cell efficiency tables (version 57)
journal, November 2020
- Green, Martin; Dunlop, Ewan; Hohl‐Ebinger, Jochen
- Progress in Photovoltaics: Research and Applications, Vol. 29, Issue 1
Six-junction III–V solar cells with 47.1% conversion efficiency under 143 Suns concentration
journal, April 2020
- Geisz, John F.; France, Ryan M.; Schulte, Kevin L.
- Nature Energy, Vol. 5, Issue 4
Performance enhancement of ZnSnP2 solar cells by a Cu3P back buffer layer
journal, March 2021
- Kuwano, Taro; Katsube, Ryoji; Kazumi, Kenji
- Solar Energy Materials and Solar Cells, Vol. 221
Combinatorial and High-Throughput Materials Science
journal, August 2007
- Maier, Wilhelm F.; Stöwe, Klaus; Sieg, Simone
- Angewandte Chemie International Edition, Vol. 46, Issue 32
Thin-Film Processing Routes for Combinatorial Materials Investigations—A Review
journal, June 2019
- McGinn, Paul J.
- ACS Combinatorial Science, Vol. 21, Issue 7
Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN 2
journal, January 2020
- Melamed, Celeste L.; Pan, Jie; Mis, Allison
- Journal of Materials Chemistry C, Vol. 8, Issue 26
Combinatorial Synthesis of Magnesium Tin Nitride Semiconductors
journal, April 2020
- Greenaway, Ann L.; Loutris, Amanda L.; Heinselman, Karen N.
- Journal of the American Chemical Society, Vol. 142, Issue 18
Gallium–Phosphide Films Deposited by Sputtering
journal, January 1970
- Sosniak, J.
- Journal of Vacuum Science and Technology, Vol. 7, Issue 1
R.f. sputtering of gallium phosphide thin films
journal, August 1979
- Starosta, K.; Zelinka, J.; Berková, D.
- Thin Solid Films, Vol. 61, Issue 2
Properties of Gallium Phosphide Thick Films Prepared on Zinc Sulfide Substrates by Radio-Frequency Magnetron Sputtering
journal, January 2010
- Li, Yangping; Liu, Zhengtang
- Journal of Materials Science & Technology, Vol. 26, Issue 1
Zinc phosphide thin films grown by RF sputtering
journal, January 1988
- Suda, Toshikazu; Miyakawa, Tadashi; Kurita, Shoichi
- Journal of Crystal Growth, Vol. 86, Issue 1-4
Growth of amorphous zinc phosphide films by reactive radio frequency sputtering
journal, December 1993
- Weber, A.; Sutter, P.; von Känel, H.
- Journal of Non-Crystalline Solids, Vol. 164-166
Effect of gas flow ratio on the microstructure and mechanical properties of boron phosphide films prepared by reactive magnetron sputtering
journal, October 2011
- Jia, Z. C.; Zhu, J. Q.; Jiang, C. Z.
- Applied Surface Science, Vol. 258, Issue 1
Critical issues in the design of polycrystalline, thin-film tandem solar cells
journal, January 2003
- Coutts, Timothy J.; Ward, J. Scott; Young, David L.
- Progress in Photovoltaics: Research and Applications, Vol. 11, Issue 6
Organometallic chemical vapor deposition of epitaxial ZnGeP2 films on (001) GaP substrates
journal, February 1989
- Xing, G. C.; Bachmann, K. J.; Solomon, G. S.
- Journal of Crystal Growth, Vol. 94, Issue 2
Substrate effects on the epitaxial growth of ZnGeP 2 thin films by open tube organometallic chemical vapor deposition
journal, April 1991
- Xing, G. C.; Bachmann, K. J.; Posthill, J. B.
- Journal of Applied Physics, Vol. 69, Issue 8
Disorder-tunable ZnGeP 2 for epitaxial top cells on Si
conference, June 2019
- Schnepf, Rekha R.; Martinez, Aaron D.; Mangum, John S.
- 2019 IEEE 46th Photovoltaic Specialists Conference (PVSC)
COMBIgor: Data-Analysis Package for Combinatorial Materials Science
journal, May 2019
- Talley, Kevin R.; Bauers, Sage R.; Melamed, Celeste L.
- ACS Combinatorial Science, Vol. 21, Issue 7
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008
- Lany, Stephan; Zunger, Alex
- Physical Review B, Vol. 78, Issue 23, Article No. 235104
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
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
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
journal, March 2012
- Stevanović, Vladan; Lany, Stephan; Zhang, Xiuwen
- Physical Review B, Vol. 85, Issue 11
A computational framework for automation of point defect calculations
journal, April 2017
- Goyal, Anuj; Gorai, Prashun; Peng, Haowei
- Computational Materials Science, Vol. 130
Effect of precursor stacking order and sulfurization temperature on compositional homogeneity of CZTS thin films
journal, September 2016
- Olgar, M. A.; Klaer, J.; Mainz, R.
- Thin Solid Films, Vol. 615
ZnGeP 2 grown by the liquid encapsulated Czochralski method
journal, April 1993
- Hobgood, H. M.; Henningsen, T.; Thomas, R. N.
- Journal of Applied Physics, Vol. 73, Issue 8
Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder
journal, October 2013
- Ndione, Paul F.; Shi, Yezhou; Stevanovic, Vladan
- Advanced Functional Materials, Vol. 24, Issue 5
Defect Physics of Ternary Semiconductor with a High Density of Anion-Cation Antisites: A First-Principles Study
journal, February 2021
- Huang, Menglin; Wang, Shan-Shan; Wu, Yu-Ning
- Physical Review Applied, Vol. 15, Issue 2
Theoretical study of cation-related point defects in
journal, May 2005
- Jiang, Xiaoshu; Miao, M. S.; Lambrecht, Walter R. L.
- Physical Review B, Vol. 71, Issue 20
Theoretical study of the phosphorus vacancy in
journal, May 2006
- Jiang, Xiaoshu; Miao, M. S.; Lambrecht, Walter R. L.
- Physical Review B, Vol. 73, Issue 19
Statistics of the Recombinations of Holes and Electrons
journal, September 1952
- Shockley, W.; Read, W. T.
- Physical Review, Vol. 87, Issue 5
Electron-Hole Recombination in Germanium
journal, July 1952
- Hall, R. N.
- Physical Review, Vol. 87, Issue 2