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RESEARCH PAPER · Advanced Materials · 2019

Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2:O

Jie Pan, Jacob J. Cordell, Garritt J. Tucker, Adele C. Tamboli, Andriy Zakutayev, Stephan Lany

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Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2:OOriginalZn 2 SbN 3 : growth and characterization of a metastable photoactive semiconductor48Composition, structure, and semiconducting properties of Mg x Zr 2− x N 2 thin films27Carrier Tuning in ZnSnN2 by Forming Amorphous and Microcrystalline Phases19Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin films15Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN 232Defect chemistry of disordered solid-state electrolyte Li 10 GeP 2 S 1249High electron mobility single-crystalline ZnSnN 2 on ZnO (0001) substrates24Improving the chemical potential of nitrogen to tune the electron density and mobility of ZnSnN 222Epitaxial growth of rock salt MgZrN2 semiconductors on MgO and GaN14Combinatorial Synthesis of Magnesium Tin Nitride Semiconductors58Review of ZnSnN2 semiconductor material42Utilizing Site Disorder in the Development of New Energy-Relevant Semiconductors73Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN2:ZnO system25Structural, electronic, and optical properties of ZnO:ZnSnN2 compounds for optoelectronics and photocatalyst applications10Metastable Ta 2 N 3 with highly tunable electrical conductivity via oxygen incorporation23Probing configurational disorder in ZnGeN2 using cluster-based Monte Carlo39Accelerating the development of new solar absorbers by photoemission characterization coupled with density functional theory13A first-principles understanding of point defects and impurities in GaN118Synthesis of Zn 2 NbN 3 ternary nitride semiconductor with wurtzite-derived crystal structure22Ternary Nitride Materials: Fundamentals and Emerging Device Applications96Computational Fermi level engineering and doping-type conversion of Mg:Ga2O3 via three-step synthesis process30Investigation of (001), (010), and (100) surface termination and surface energies of the Zintl Ca5Ga2Sb62Approaching Theoretical Band Gap of ZnSnN2 Films via Bias Magnetron Cosputtering at Room Temperature13Theoretical Prediction and Thin-Film Growth of the Defect-Tolerant Nitride Semiconductor YZn3N312Bandgap analysis and carrier localization in cation-disordered ZnGeN228Electrical properties of zinc nitride and zinc tin nitride semiconductor thin films toward photovoltaic applications8Self-doping behavior and cation disorder in MgSnN217Emerging Earth-Abundant Solar Absorbers47Composition dependent electrochemical properties of earth-abundant ternary nitride anodes2Short-Range Order Tunes Optical Properties in Long-Range Disordered ZnSnN2–ZnO Alloy7Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications38Atomically thin interlayer phase from first principles enables defect-free incommensurate SnO2/CdTe interface8Nanocrystalline ZnSnN2 Prepared by Reactive Sputtering, Its Schottky Diodes and Heterojunction Solar Cells21Defect modeling and control in structurally and compositionally complex materials35Physical properties of Zn-Sn-N films governed by the Zn/(Zn + Sn) ratio5Band energy dependence of defect formation in the topological semimetal Cd3As28Comparing the influence of cation order and composition in simulated Zn(Sn, Ge)N2 on structure, elastic moduli, and polarization for solid state lighting1Predicting Thermochemical Equilibria with Interacting Defects: Sr1−xCexMnO3−δ Alloys for Water Splitting13Defect control strategies for Al1− x Gd x N alloys12Sputtering Deposited and Energy Band Matched ZnSnN2 Buffer Layers for Highly Efficient Cd‐Free Cu2ZnSnS4 Solar Cells37Cation disorder in MgSnN 2 and its effects on the electronic properties8Capacitance characterization and current transport mechanism of ZnSnN2 heterojunctions7Intrinsic induction of resonant energy levels for the enhancement of thermoelectric parameters of ZnSnN2 thin films3The barrier height formation mechanism and bulk inhomogeneity in ZnSnN2\Cu Schottky junctions4Microscopic origin of metal–insulator transition in two-dimensional Bi2O2Se unraveled by first-principles simulations0Consistent evidence for intra- and inter-columnar transport decoupling in sputter-grown ZnSnN 2 thin films through growth-driven microstructural evolution0The p-type conduction and Schottky junction of Ag-doped ZnSnN21The recombination mechanism and defect energy levels of Ag-doped ZnSnN2/ZnSnN2 pn homojunction solar cells0

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  1. Zn 2 SbN 3 : growth and characterization of a metastable photoactive semiconductor

    Materials Horizons · 2019-01-01

    Elisabetta Arca, John D. Perkins, Stephan Lany, Allison V. Mis, Bor-Rong Chen, Patricia C. Dippo, Jonathan L. Partridge, Wenhao Q. Sun, Aaron M. Holder, Adele C. Tamboli, Michael F. Toney, Laura T. Schelhas, Gerbrand Ceder, William Tumas, Glenn R. Teeter, Andriy Zakutayev

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  2. Composition, structure, and semiconducting properties of Mg x Zr 2− x N 2 thin films

    Japanese Journal of Applied Physics · 2019-05-03

    Sage R. Bauers, Danielle M. Hamann, Ashlea R. Patterson, John D. Perkins, Kevin R. Talley, Andriy Zakutayev

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  3. Carrier Tuning in ZnSnN2 by Forming Amorphous and Microcrystalline Phases

    Inorganic Chemistry · 2019-06-20

    Xiaojie Wu, Fanzhi Meng, Deliang Chu, Mingcai Yao, Kai Guan, Dongdong Zhang, Jian Meng

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  4. Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin films

    Journal of Applied Physics · 2019-07-16

    Dylan C. Hamilton, Elisabetta Arca, Jie Pan, Sebastian Siol, Matthew R. Young, Stephan Lany, Andriy Zakutayev

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  5. Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN 2

    Journal of Materials Chemistry C · 2020-01-01

    Celeste L. Melamed, Jie Pan, Allison V. Mis, Karen N. Heinselman, Rekha R. Schnepf, Rachel Woods‐Robinson, Jacob J. Cordell, Stephan Lany, Eric S. Toberer, Adele C. Tamboli

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  6. Defect chemistry of disordered solid-state electrolyte Li 10 GeP 2 S 12

    Journal of Materials Chemistry A · 2020-01-01

    Prashun Gorai, Hai Long, Eric B. Jones, Shriram Santhanagopalan, Vladan Stevanović

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  7. High electron mobility single-crystalline ZnSnN 2 on ZnO (0001) substrates

    CrystEngComm · 2020-01-01

    Daniela S. Gogova, Vegard Skiftestad Olsen, Calliope Bazioti, In-Hwan Lee, Øystein Prytz, Lasse Vines, Andrej Yu Kuznetsov

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  8. Improving the chemical potential of nitrogen to tune the electron density and mobility of ZnSnN 2

    Journal of Materials Chemistry C · 2020-01-01

    Fan Ye, Qianqian Chen, Xing‐Min Cai, Yizhu Xie, Xiufang Ma, Vaithinathan Karthikeyan, Dong‐Ping Zhang, Ping Fan, Vellaisamy A. L. Roy

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  9. Epitaxial growth of rock salt MgZrN2 semiconductors on MgO and GaN

    Applied Physics Letters · 2020-03-09

    Sage R. Bauers, John S. Mangum, Steven P. Harvey, John D. Perkins, Brian P. Gorman, Andriy Zakutayev

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  10. Combinatorial Synthesis of Magnesium Tin Nitride Semiconductors

    Journal of the American Chemical Society · 2020-04-11

    Ann L. Greenaway, Amanda L. Loutris, Karen N. Heinselman, Celeste L. Melamed, Rekha R. Schnepf, M. Brooks Tellekamp, Rachel Woods‐Robinson, Rachel Sherbondy, Dylan Bardgett, Sage R. Bauers, Andriy Zakutayev, Steven T. Christensen, Stephan Lany, Adele C. Tamboli

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  11. Review of ZnSnN2 semiconductor material

    Journal of Physics Energy · 2020-04-21

    Imran Khan, Karen N. Heinselman, Andriy Zakutayev

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  12. Utilizing Site Disorder in the Development of New Energy-Relevant Semiconductors

    ACS Energy Letters · 2020-04-30

    Rekha R. Schnepf, Jacob J. Cordell, M. Brooks Tellekamp, Celeste L. Melamed, Ann L. Greenaway, Allison V. Mis, Geoff L. Brennecka, Steven T. Christensen, Garritt J. Tucker, Eric S. Toberer, Stephan Lany, Adele C. Tamboli

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  13. Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN2:ZnO system

    npj Computational Materials · 2020-05-27

    Jie Pan, Jacob J. Cordell, Garritt J. Tucker, Andriy Zakutayev, Adele C. Tamboli, Stephan Lany

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  14. Structural, electronic, and optical properties of ZnO:ZnSnN2 compounds for optoelectronics and photocatalyst applications

    Physics Letters A · 2020-06-18

    Dangqi Fang, Yaqi Li

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  15. Metastable Ta 2 N 3 with highly tunable electrical conductivity via oxygen incorporation

    Materials Horizons · 2021-01-01

    Chang‐Ming Jiang, Laura I. Wagner, Matthew K. Horton, Johanna Eichhorn, Tim Rieth, Viktoria F. Kunzelmann, Max Kraut, Yanbo Li, Kristin Aslaug Persson, Ian D. Sharp

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  16. Probing configurational disorder in ZnGeN2 using cluster-based Monte Carlo

    Physical Review Materials · 2021-02-16

    Jacob J. Cordell, Jie Pan, Adele C. Tamboli, Garritt J. Tucker, Stephan Lany

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  17. Accelerating the development of new solar absorbers by photoemission characterization coupled with density functional theory

    Journal of Physics Energy · 2021-03-03

    Tim D. Veal, David O. Scanlon, Robert M. Kostecki, Elisabetta Arca

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  18. A first-principles understanding of point defects and impurities in GaN

    Journal of Applied Physics · 2021-03-15

    John L. Lyons, Darshana Wickramaratne, Chris G. Van de Walle

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  19. Synthesis of Zn 2 NbN 3 ternary nitride semiconductor with wurtzite-derived crystal structure

    Journal of Physics Condensed Matter · 2021-04-22

    Andriy Zakutayev

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  20. Ternary Nitride Materials: Fundamentals and Emerging Device Applications

    Annual Review of Materials Research · 2021-05-12

    Ann L. Greenaway, Celeste L. Melamed, M. Brooks Tellekamp, Rachel Woods‐Robinson, Eric S. Toberer, James Richmond Neilson, Adele C. Tamboli

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  21. Computational Fermi level engineering and doping-type conversion of Mg:Ga2O3 via three-step synthesis process

    Journal of Applied Physics · 2021-06-28

    Anuj Goyal, Andriy Zakutayev, Vladan Stevanović, Stephan Lany

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  22. Investigation of (001), (010), and (100) surface termination and surface energies of the Zintl Ca5Ga2Sb6

    Surface Science · 2021-08-18

    Monique N. Noel, David M. Smiadak, Jie Pan, Yue Qi, Alexandra Zevalkink

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  23. Approaching Theoretical Band Gap of ZnSnN2 Films via Bias Magnetron Cosputtering at Room Temperature

    ACS Applied Electronic Materials · 2021-08-20

    Agathe Virfeu, Fahad Alnjiman, Jaâfar Ghanbaja, Alejandro Borroto, Christine Gendarme, Sylvie Migot, Leonardo Kopprio, Sylvain Le Gall, Christophe Longeaud, Jean‐Pierre Vilcot, J.F. Pierson

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  24. Theoretical Prediction and Thin-Film Growth of the Defect-Tolerant Nitride Semiconductor YZn3N3

    Chemistry of Materials · 2021-10-19

    Ryosuke Kikuchi, Toru Nakamura, Takahiro Kurabuchi, Yasushi Kaneko, Yu Kumagai, Fumiyasu Oba

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  25. Bandgap analysis and carrier localization in cation-disordered ZnGeN2

    APL Materials · 2022-01-01

    Jacob J. Cordell, Garritt J. Tucker, Adele C. Tamboli, Stephan Lany

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  26. Electrical properties of zinc nitride and zinc tin nitride semiconductor thin films toward photovoltaic applications

    High Temperature Materials and Processes · 2022-01-01

    Yong Wang, Takeo Ohsawa, Fahad Alnjiman, J.F. Pierson, Naoki Ohashi

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  27. Self-doping behavior and cation disorder in MgSnN2

    Physical review. B./Physical review. B · 2022-03-28

    Dan Han, Stefan S. Rudel, Wolfgang Schnick, H. Ebert

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  28. Emerging Earth-Abundant Solar Absorbers

    ACS Energy Letters · 2022-03-30

    Ji Woon Choi, Byungha Shin, Prashun Gorai, Robert L. Z. Hoye, Robert G. Palgrave

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  29. Composition dependent electrochemical properties of earth-abundant ternary nitride anodes

    APL Materials · 2022-04-01

    M. Brooks Tellekamp, Anna Osella, Karen N. Heinselman, Adele C. Tamboli, Chunmei Ban

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  30. Short-Range Order Tunes Optical Properties in Long-Range Disordered ZnSnN2–ZnO Alloy

    Chemistry of Materials · 2022-04-29

    Celeste L. Melamed, Moira K. Miller, Jacob J. Cordell, Linda Pucurimay, Alyssa Livingood, Rekha R. Schnepf, Jie Pan, Karen N. Heinselman, Fernando D. Vila, Allison V. Mis, Dennis L. Nordlund, Ben L. Levy-Wendt, Stephan Lany, Eric S. Toberer, Steven T. Christensen, Adele C. Tamboli

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  31. Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications

    Journal of the American Chemical Society · 2022-07-20

    Ann L. Greenaway, Sijia Ke, Theodore H. Culman, Kevin R. Talley, John S. Mangum, Karen N. Heinselman, Ryan Kingsbury, Rebecca W. Smaha, Melissa K. Gish, Elisa M. Miller, Kristin Aslaug Persson, John M. Gregoire, Sage R. Bauers, Jeffrey B. Neaton, Adele C. Tamboli, Andriy Zakutayev

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  32. Atomically thin interlayer phase from first principles enables defect-free incommensurate SnO2/CdTe interface

    Applied Physics Reviews · 2022-12-01

    Abhishek Sharan, Marco Nardone, Dmitry N. Krasikov, Nirpendra Singh, Stephan Lany

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  33. Nanocrystalline ZnSnN2 Prepared by Reactive Sputtering, Its Schottky Diodes and Heterojunction Solar Cells

    Nanomaterials · 2022-12-30

    Fan Ye, Rui-Tuo Hong, Yi-Bin Qiu, Yizhu Xie, Dong‐Ping Zhang, Ping Fan, Xing‐Min Cai

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  34. Defect modeling and control in structurally and compositionally complex materials

    Nature Computational Science · 2023-03-31

    Xie Zhang, Jun Yong Kang, Su‐Huai Wei

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  35. Physical properties of Zn-Sn-N films governed by the Zn/(Zn + Sn) ratio

    Journal of Vacuum Science & Technology A Vacuum Surfaces and Films · 2023-04-21

    Junyan Ren, Lingyan Liang, Xiaohan Liu, Hongtao Cao

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  36. Band energy dependence of defect formation in the topological semimetal Cd3As2

    Physical review. B./Physical review. B · 2023-06-29

    Chase Brooks, Mark van Schilfgaarde, Dimitar L. Pashov, Jocienne N. Nelson, Kirstin Alberi, D. S. Dessau, Stephan Lany

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  37. Comparing the influence of cation order and composition in simulated Zn(Sn, Ge)N2 on structure, elastic moduli, and polarization for solid state lighting

    Journal of Applied Physics · 2024-02-15

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  38. Predicting Thermochemical Equilibria with Interacting Defects: Sr1−xCexMnO3−δ Alloys for Water Splitting

    PRX Energy · 2024-02-16

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  39. Defect control strategies for Al1− x Gd x N alloys

    Journal of Applied Physics · 2024-04-16

    Cheng‐Wei Lee, Naseem Ud Din, Keisuke Yazawa, William Nemeth, Rebecca W. Smaha, N. M. Haegel, Prashun Gorai

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  40. Sputtering Deposited and Energy Band Matched ZnSnN2 Buffer Layers for Highly Efficient Cd‐Free Cu2ZnSnS4 Solar Cells

    Advanced Functional Materials · 2024-05-31

    Fan Ye, Cangshuang He, Tong Wu, Shuo Chen, Zhenghua Su, Xianghua Zhang, Xing‐Min Cai, Guangxing Liang

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  41. Cation disorder in MgSnN 2 and its effects on the electronic properties

    Physical Review Materials · 2024-07-24

    Jing Huang, Jun Yong Kang

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  42. Capacitance characterization and current transport mechanism of ZnSnN2 heterojunctions

    Applied Physics Letters · 2024-12-09

    Fan Ye, Zi-Cheng Zhao, Cang-Shuang He, Jian-Lin Liang, Qian Gao, Yizhu Xie, Dong-Ping Zhang, Xing‐Min Cai

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  43. Intrinsic induction of resonant energy levels for the enhancement of thermoelectric parameters of ZnSnN2 thin films

    Materials Research Bulletin · 2025-07-04

    N.A. Muhammed Sabeer, Anju Paulson, P. P. Pradyumnan

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  44. The barrier height formation mechanism and bulk inhomogeneity in ZnSnN2\Cu Schottky junctions

    Applied Physics Letters · 2025-09-08

    Fan Ye, Qian Gao, Zi-Cheng Zhao, Jian-Lin Liang, Yizhu Xie, Dong-Ping Zhang, Xing‐Min Cai

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  45. Microscopic origin of metal–insulator transition in two-dimensional Bi2O2Se unraveled by first-principles simulations

    Applied Physics Letters · 2025-12-29

    Chen-Min Dai, Feifan Bian, Chunlan Ma, Menglin Huang, Zenghua Cai, Shimao Chen

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  46. Consistent evidence for intra- and inter-columnar transport decoupling in sputter-grown ZnSnN 2 thin films through growth-driven microstructural evolution

    Journal of Materials Chemistry C · 2026-01-01

    Juchan Hwang, Y J Kim, Dohyun Kim, J M Kim, Jung‐Wook Min, Gyeong Cheol Park, Chee Leong Tan, Hyeongmun Kim, Chul Kang, Kwangwook Park

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  47. The p-type conduction and Schottky junction of Ag-doped ZnSnN2

    Journal of Applied Physics · 2026-04-16

    Xing‐Min Cai, Jian-Lin Liang, Qian Gao, Arzoo Hassan, Umer Younis, Xiaoqing Tian, D G Zhang, Fan Ye

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  48. The recombination mechanism and defect energy levels of Ag-doped ZnSnN2/ZnSnN2 pn homojunction solar cells

    Applied Physics Letters · 2026-08-31

    Fan Ye, Qian Gao, Qiao Tang, Yizhu Xie, Ying Liu, Chun-Yan Yu, Fan Wang, Dongping Zhang, Xing‐Min Cai

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