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RESEARCH PAPER · ACS Photonics · 2022

SnP2S6: A Promising Infrared Nonlinear Optical Crystal with Strong Nonresonant Second Harmonic Generation and Phase-Matchability

Jingyang He, Seng Huat Lee, Francesco Naccarato, Guillaume Brunin, Rui Zu, Yuanxi Wang, Leixin Miao, Huaiyu Hugo Wang, Nasim Alem, Geoffroy Hautier, Gian‐Marco Rignanese, Zhiqiang Q. Mao, Venkatraman Gopalan

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SnP2S6: A Promising Infrared Nonlinear Optical Crystal with Strong Nonresonant Second Harmonic Generation and Phase-MatchabilityOriginalAAg 3 Ga 8 Se 14 (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe 4 and GaSe 4 tetrahedrons5SnP2Se6: A Chiral 2D Semiconductor for High-Performance Electronics and Optoelectronics2A high-performance self-powered photodetector based on SnP 2 S 6 in the visible light region14Revisiting two thiophosphate compounds constituting d 0 transition metal HfP 2 S 6 and d 10 transition metal α-Ag 4 P 2 S 6 as multifunctional materials for combining second harmonic generation response and photocurrent response12Visualizing the alignment of lone pair electrons in La 3 AsS 5 Br 2 and La 5 As 2 S 9 Cl 3 to form an acentric or centrosymmetric structure10Recent Advances in 2D Material Theory, Synthesis, Properties, and Applications342MgSiP2: An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold18Strain Modulation of Electronic Properties in Monolayer SnP2S6 and GeP2S65Surface Oxidation and S Atom Vacancy in Tuning the Photoelectric Properties of Monolayer SnP 2 S 63Chalcophosphate metasurfaces with multipolar resonances and electro-optic tuning7Room-temperature ferroelectricity in van der Waals SnP2S66KREP 2 S 6 (RE = Sm, Gd, Tb, Dy): A Series of Polar Rare-Earth Thiophosphates with High Laser-Induced Damage Thresholds and Moderate Nonlinear-Optical Responses Synergistically Contributed by Isolated P 2 S 6 Units and {[RE 2 S 15 ] 24– } ∞ Layers8Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy31High second-order nonlinearity in single-domain tetragonal PMN-PT single crystal10High carrier mobility and strong anisotropy in the family of monolayer SnP2X6 (X=S, Se, Te)3Bulk photovoltaic effect and high mobility in the polar 2D semiconductor SnP 2 Se 645Excitonic optical properties in monolayer SnP 2 S 62Extrinsic Dual‐Mode Self‐Trapped Excitons Emission With Highly Linear Polarization From Cu3PS3Se6Dual role of Te ions as electron traps and hole traps in ferroelectric Sn2P2S6 crystals1Ferroelectricity and Nonlinear Optical Responses in Two-Dimensional Distorted MX2Y (M = Cu, Ag, Au; X = Chalcogens; Y = Halogen) Monolayers2Large Non‐Resonant Infrared Optical Second Harmonic Generation in Bulk Crystals of Van der Waals Semiconductor, SnP2Se611The Computational Study of Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI)7Structure, Stability, and Electronic Properties of the 2D van der Waals Selenophosphate LiGaP 2 Se 61Anisotropic photodetection in monoclinic SnP2S6 single crystals2Counter-propagating entangled photon pairs from monolayer GaSe10基于超表面调控的SnP2S6非线性光学特性增强研究0The Metal Coordination Effects on the Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI: Ag(I)/Co(II)/Zn(II)): Computational and Experimental Studies3Distinguishing polarization orientation via second-harmonic generation in the potential sliding ferroelectric SnP 2 S 60Efficient Polarization‐Entangled Photon‐Pair Generation by a Fiber‐In‐Line van der Waals Material0Reversible Hydration Tuning of Polar Order and Large Nonlinear Optical Response in a 2D van der Waals Crystal, LiInP 2 S 60Machine‐Learning‐Assisted Discovery and Accelerated Synthesis of Metal Phosphosulfides1Electron–Phonon-Driven Temperature-Adaptive Optoelectronics in the van der Waals Ferroelectric SnP2S60Deep-Red-Emissive Organic–Inorganic Hybrid Crystal with Multifunctional Nonlinear Optical Responses0

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  1. AAg 3 Ga 8 Se 14 (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe 4 and GaSe 4 tetrahedrons

    Dalton Transactions · 2022-01-01

    Zhi-Xin Qiu, Shao‐Min Pei, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  2. SnP2Se6: A Chiral 2D Semiconductor for High-Performance Electronics and Optoelectronics

    Research Square · 2022-10-17

    Daniel G. Chica, Vinod Kumar Sangwan, Ting-Ching Chu, Matthew Cheng, Michael A. Quintero, Shiqiang Hao, Hyeonseon Choi, Yukun Liu, Eric K. Qian, Jingyang He, Craig C. Laing, Venkatraman Gopalan, Chris M. Wolverton, Vinayak P. Dravid, Lincoln J. Lauhon, Mark C. Hersam, Mercouri G. Kanatzidis

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  3. A high-performance self-powered photodetector based on SnP 2 S 6 in the visible light region

    Journal of Materials Chemistry C · 2023-01-01

    Shuxian Wang, Jiaming Song, Linghao Zong, Juanjuan Yang, Bingda Li, Feng Teng, Peng Hu, Haibo Fan, Xin Zhao

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  4. Revisiting two thiophosphate compounds constituting d 0 transition metal HfP 2 S 6 and d 10 transition metal α-Ag 4 P 2 S 6 as multifunctional materials for combining second harmonic generation response and photocurrent response

    CrystEngComm · 2023-01-01

    Craig Cropek, Bingheng Ji, Arka Sarkar, Fei Wang, Tajamul Hussain Syed, Wei Wei, Sheng‐Ping Guo, Jian Wang

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  5. Visualizing the alignment of lone pair electrons in La 3 AsS 5 Br 2 and La 5 As 2 S 9 Cl 3 to form an acentric or centrosymmetric structure

    CrystEngComm · 2023-01-01

    Gary Cicirello, Andrew Swindle, Jian Wang

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  6. Recent Advances in 2D Material Theory, Synthesis, Properties, and Applications

    ACS Nano · 2023-05-23

    Yu‐Chuan Lin, Yu‐Chuan Lin, Riccardo Torsi, Rehan Younas, Christopher L. Hinkle, Albert F. Rigosi, Heather M. Hill, Kunyan Zhang, Shengxi Huang, Christopher E. Shuck, Chen Chen, Yu-Hsiu Lin, Yu-Hsiu Lin, Daniel Maldonado‐Lopez, José L. Mendoza-Cortés, John Ferrier, Swastik Kar, Nadire Nayir, Siavash Rajabpour, Adri C. T. van Duin, Xiwen Liu, Deep Jariwala, Jie Jiang, Jian Zhong Shi, Wouter Mortelmans, R. Jaramillo, J. M. J. Lopes, Roman Engel‐Herbert, Anthony Trofe, Tetyana Ignatova, Seng Huat Lee, Zhiqiang Q. Mao, Leticia Damian, Yuanxi Wang, Megan A. Steves, Kenneth L. Knappenberger, Zhengtianye Wang, Stephanie Law, George Bepete, Da Li Zhou, Jiangxiazi Lin, Mathias S. Scheurer, J. I. A. Li, Pengjie Wang, Guo Hao Yu, Sanfeng Wu, Deji Akinwande, Joan Marie Redwing, Mauricio Terrones, Joshua A. Robinson

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  7. MgSiP2: An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold

    Advanced Optical Materials · 2023-07-14

    Jingyang He, Yingdong Guan, Victor Trinquet, Guillaume Brunin, Ke Wang, Robert A. Robinson, Rui Zu, Suguru Yoshida, Seng Huat Lee, Yu Wang, Yanglin Zhu, Gian‐Marco Rignanese, Zhiqiang Q. Mao, Venkatraman Gopalan

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  8. Strain Modulation of Electronic Properties in Monolayer SnP2S6 and GeP2S6

    Inorganics · 2023-07-15

    Junlei Zhou, Yuzhou Gu, Yuee Xie, Fen Qiao, Jiaren Yuan, Jingjing He, Sake Wang, Yangsheng Li, Yangbo Zhou

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  9. Surface Oxidation and S Atom Vacancy in Tuning the Photoelectric Properties of Monolayer SnP 2 S 6

    The Journal of Physical Chemistry C · 2023-10-05

    Linan Ma, Wangping Xu, Jue-Xian Cao, Xiaolin Wei

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  10. Chalcophosphate metasurfaces with multipolar resonances and electro-optic tuning

    RSC Advances · 2024-01-01

    Viktoriia E. Babicheva, Mariacristina Rumi

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  11. Room-temperature ferroelectricity in van der Waals SnP2S6

    Frontiers of Physics · 2024-01-05

    Chaowei He, Jiantian Zhang, Li Gong, Peng Yu

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  12. KREP 2 S 6 (RE = Sm, Gd, Tb, Dy): A Series of Polar Rare-Earth Thiophosphates with High Laser-Induced Damage Thresholds and Moderate Nonlinear-Optical Responses Synergistically Contributed by Isolated P 2 S 6 Units and {[RE 2 S 15 ] 24– } ∞ Layers

    Inorganic Chemistry · 2024-02-17

    Chen‐Yi Zhao, Wen‐Dong Yao, Mingyang Li, Wenfeng Zhou, Wenlong Liu, Sheng‐Ping Guo

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  13. Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy

    Journal of the American Chemical Society · 2024-05-31

    Aoge Yao, Fan Liu, Bohui Xu, Hao Huo, Zheshuai Lin, Lei Kang

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  14. High second-order nonlinearity in single-domain tetragonal PMN-PT single crystal

    Applied Physics Letters · 2024-07-22

    Peng Luan, Xin Liu, Hongliang Du, Wanghua Wu, Hailong Hu, Fei Li, Xiaoyong Wei, Zhuo Xu

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  15. High carrier mobility and strong anisotropy in the family of monolayer SnP2X6 (X=S, Se, Te)

    Computational Materials Science · 2024-07-24

    Feng Li, Xiangyan Bo, Chenglong Wu, Chenglong Wu, Yang Zhang, Shasha Li, Hong Wu

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  16. Bulk photovoltaic effect and high mobility in the polar 2D semiconductor SnP 2 Se 6

    Science Advances · 2024-07-31

    Vinod Kumar Sangwan, Daniel G. Chica, Ting-Ching Chu, Matthew Cheng, Michael A. Quintero, Shiqiang Hao, Christopher E. Mead, Hyeonseon Choi, Rui Zu, Jyoti Sheoran, Jingyang He, Yukun Liu, Eric K. Qian, Craig C. Laing, Min‐A Kang, Venkatraman Gopalan, Chris M. Wolverton, Vinayak P. Dravid, Lincoln J. Lauhon, Mark C. Hersam, Mercouri G. Kanatzidis

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  17. Excitonic optical properties in monolayer SnP 2 S 6

    Chinese Physics B · 2024-08-27

    Peng-Yuan 鹏远 Chen 陈, Zhen 真 Quan 权, Shu-Dong 舒东 Wang 王

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  18. Extrinsic Dual‐Mode Self‐Trapped Excitons Emission With Highly Linear Polarization From Cu3PS3Se

    Advanced Optical Materials · 2024-11-28

    Yingjie Ai, Guoting Li, Wei Chen, Renjie Zhao, Wenjing Huang, Nenghui Zhang, Xuying Zhong, Wei Dou, Yangbo Zhou, Yaxin Zhai, Dongsheng Tang, Weichang Zhou

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  19. Dual role of Te ions as electron traps and hole traps in ferroelectric Sn2P2S6 crystals

    Journal of Applied Physics · 2024-12-13

    Timothy D. Gustafson, Elizabeth M. Scherrer, N. C. Giles, Mariacristina Rumi, A. A. Grabar, L. E. Halliburton

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  20. Ferroelectricity and Nonlinear Optical Responses in Two-Dimensional Distorted MX2Y (M = Cu, Ag, Au; X = Chalcogens; Y = Halogen) Monolayers

    ACS Applied Materials & Interfaces · 2025-01-20

    Yanlin Li, Jiaqi Xin, Yaguang Guo, Zhengyong Li, Xinghua Zhang

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  21. Large Non‐Resonant Infrared Optical Second Harmonic Generation in Bulk Crystals of Van der Waals Semiconductor, SnP2Se6

    Advanced Optical Materials · 2025-03-01

    Jadupati Nag, Saugata Sarker, Safdar Imam, Abishek K. Iyer, Michael J. Waters, Albert Suceava, James M. Rondinelli, Mercouri G. Kanatzidis, Venkatraman Gopalan

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  22. The Computational Study of Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI)

    The Journal of Physical Chemistry A · 2025-07-09

    Ali Raza Ayub, Karim Youssef Nabat, Salba, Javed Iqbal M, Hui Li

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  23. Structure, Stability, and Electronic Properties of the 2D van der Waals Selenophosphate LiGaP 2 Se 6

    Inorganic Chemistry · 2025-07-30

    Eric K. Qian, Daniel G. Chica, Michael J. Waters, James M. Rondinelli, Mercouri G. Kanatzidis

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  24. Anisotropic photodetection in monoclinic SnP2S6 single crystals

    Applied Physics Letters · 2025-09-22

    Runcang Feng, Qiankun Li, Zhongshen Luo, Shun Wang, Yiqi Hu, Zhou Zhou, Tianhao Ying, Yanfei Hou, Yuyan Weng, Lü You, Liang Fang

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  25. Counter-propagating entangled photon pairs from monolayer GaSe

    Nature Communications · 2025-10-30

    Zhuoyuan Lu, Jiří Janoušek, Syed M. Assad, Shuyao Qiu, Mayank Joshi, Yecheng Hu, Yu Song, Chuanyu Wang, Manuka Suriyage, Jie Zhao, Ping Koy Lam, Yuerui Lu

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  26. 基于超表面调控的SnP2S6非线性光学特性增强研究

    Chinese Journal of Lasers · 2026-01-01

    戴腾飞, 常建华 Chang Jianhua, Congliao Yan, Yanghao Xu, 迟荣华 Chi Ronghua, 李红旭 Li Hongxu

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  27. The Metal Coordination Effects on the Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI: Ag(I)/Co(II)/Zn(II)): Computational and Experimental Studies

    Inorganic Chemistry · 2026-01-29

    Ali Raza Ayub, Salba, Muhammad Zeshan, Karim Youssef Nabat, Javed Iqbal M, Hui Li

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  28. Distinguishing polarization orientation via second-harmonic generation in the potential sliding ferroelectric SnP 2 S 6

    Physical review. B./Physical review. B · 2026-05-22

    Fengfeng Ye, Qiankun Li, Zhuocheng Lu, Xinfeng Chen, Yang Li, Hua Wang, Lu You, Gaoyang Gou

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  29. Efficient Polarization‐Entangled Photon‐Pair Generation by a Fiber‐In‐Line van der Waals Material

    Advanced Science · 2026-07-17

    Jungseok Choi, Seongju Ha, Seungjae Lim, Joohyeon Ahn, Jaekyoung Kim, Jong Hyuk Yim, Nam Hun Park, Youngdong Yoo, Jae‐Ung Lee, Hee Su Park, Sang‐Min Lee, Dong‐Il Yeom

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  30. Reversible Hydration Tuning of Polar Order and Large Nonlinear Optical Response in a 2D van der Waals Crystal, LiInP 2 S 6

    Advanced Materials · 2026-07-31

    Jadupati Nag, Saugata Sarker, Michael J. Waters, Safdar Imam, Himirkanti Sarkar, Anthony Raymond Richardella, James M. Rondinelli, Mercouri G. Kanatzidis, Venkatraman Gopalan

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  31. Machine‐Learning‐Assisted Discovery and Accelerated Synthesis of Metal Phosphosulfides

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    Javier Sanz Rodrigo, Nicholas A. Kryger-Nelson, Lena Angelika Mittmann, Eugene P. Bertin, Ivano E. Castelli, Andrea Crovetto

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  32. Electron–Phonon-Driven Temperature-Adaptive Optoelectronics in the van der Waals Ferroelectric SnP2S6

    ACS Applied Electronic Materials · 2026-08-14

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  33. Deep-Red-Emissive Organic–Inorganic Hybrid Crystal with Multifunctional Nonlinear Optical Responses

    Inorganic Chemistry · 2026-10-13

    Meifang Yang, Guangyi Cao, Lei Zhang, Yubin Qian, Xiong Pan, Wen-Guang Li, Yu-Xin Chen, Tian Tian, Wei‐Xiong Zhang

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