Stabilization of the Polar Structure and Giant Second-Order Nonlinear Response of Single Crystal γ-NaAs0.95Sb0.05Se2

Iyer, Abishek K.; He, Jingyang; Xie, Hongyao; Goodling, Devin; Chung, Duck‐Young; Gopalan, Venkatraman; Kanatzidis, Mercouri G.

doi:10.1002/adfm.202211969

Stabilization of the Polar Structure and Giant Second-Order Nonlinear Response of Single Crystal γ-NaAs_0.95Sb_0.05Se₂

Journal Article · Mon Dec 19 00:00:00 EST 2022 · Advanced Functional Materials

DOI:https://doi.org/10.1002/adfm.202211969· OSTI ID:2339561

^[1]; He, Jingyang ^[2]; Xie, Hongyao ^[1]; Goodling, Devin ^[2]; Chung, Duck‐Young ^[3]; Gopalan, Venkatraman ^[2]; ^[1]

Northwestern Univ., Evanston, IL (United States)
Pennsylvania State Univ., University Park, PA (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)

The dearth of suitable materials significantly restricts the practical development of infrared (IR) laser systems with highly efficient and broadband tuning. Recently, γ-NaAsSe₂ is reported, and it exhibits a large nonlinear second-harmonic generation (SHG) coefficient of 590 pm V^—1 at 2 µm. However, the crystal growth of γ-NaAsSe₂ is challenging because it undergoes a phase transition to centrosymmetric δ-NaAsSe₂. Herein, the stabilization of non-centrosymmetric γ-NaAsSe₂ by doping the As site with Sb, which results in γ-NaAs_0.95Sb_0.05Se₂ is reported. The congruent melting behavior is confirmed by differential thermal analysis with a melting temperature of 450 °C and crystallization temperature of 415 °C. Single crystals with dimensions of 3 mm × 2 mm are successfully obtained via zone refining and the Bridgman method. The purification of the material plays a significant role in crystal growth and results in a bandgap of 1.78 eV and thermal conductivity of 0.79 Wm^—1 K^—1. The single-crystal SHG coefficient of γ-NaAs_0.95Sb_0.05Se₂ exhibits an enormous value of |d₁₁| = 648 ± 74 pm V^—1, which is comparable to that of γ-NaAsSe₂ and ≈20× larger than that of AgGaSe₂. Importantly, the bandgap of γ-NaAs_0.95Sb_0.05Se₂ (1.78 eV) is similar to that of AgGaSe₂, thus rendering it highly attractive as a high-performing nonlinear optical material.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF); US Air Force Office of Scientific Research (AFOSR); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2339561

Alternate ID(s):: OSTI ID: 1905899

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 9 Vol. 33; ISSN 1616-301X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (34)

Giant Non‐Resonant Infrared Second Order Nonlinearity in γ ‐NaAsSe ₂ He, Jingyang; Iyer, Abishek K.; Waters, Michael J. Advanced Optical Materials, Vol. 10, Issue 2 https://doi.org/10.1002/adom.202101729	journal	November 2021
Soluble Direct-Band-Gap Semiconductors LiAsS ₂ and NaAsS ₂ : Large Electronic Structure Effects from Weak As⋅⋅⋅S Interactions and Strong Nonlinear Optical Response Bera, Tarun K.; Song, Jung-Hwan; Freeman, Arthur J. Angewandte Chemie International Edition, Vol. 47, Issue 41 https://doi.org/10.1002/anie.200801392	journal	September 2008
Rational design of infrared nonlinear optical chalcogenides by chemical substitution Lin, Hua; Wei, Wen-Bo; Chen, Hong Coordination Chemistry Reviews, Vol. 406 https://doi.org/10.1016/j.ccr.2019.213150	journal	March 2020
A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs Wu, Kui; Yang, Ya; Gao, Lihua Coordination Chemistry Reviews, Vol. 418 https://doi.org/10.1016/j.ccr.2020.213380	journal	September 2020
Growth and characterization of BaGa4Se7 crystal Yao, Jiyong; Yin, Wenlong; Feng, Kai Journal of Crystal Growth, Vol. 346, Issue 1 https://doi.org/10.1016/j.jcrysgro.2012.02.035	journal	May 2012
Synthesis, structure and theoretical studies of a new ternary non-centrosymmetric β-LaGaS3 Li, Peng; Li, Long-Hua; Chen, Ling Journal of Solid State Chemistry, Vol. 183, Issue 2 https://doi.org/10.1016/j.jssc.2009.11.030	journal	February 2010
Na2Ge2Se5: A highly nonlinear optical material Chung, In; Song, Jung-Hwan; Jang, Joon I. Journal of Solid State Chemistry, Vol. 195 https://doi.org/10.1016/j.jssc.2012.05.038	journal	November 2012
Recent progress on new infrared nonlinear optical materials with application prospect Luo, Xiaoyu; Li, Zhuang; Guo, Yangwu Journal of Solid State Chemistry, Vol. 270 https://doi.org/10.1016/j.jssc.2018.12.036	journal	February 2019
Preparation, crystal structure and characterization of α-NaSbP2S6 and β-NaSbP2S6 phases Manríquez, V.; Galdámez, A.; Ruiz-León, D. Materials Research Bulletin, Vol. 41, Issue 7 https://doi.org/10.1016/j.materresbull.2005.12.006	journal	July 2006
Crystal structure and phase transitions of the lithium ionic conductor Li3PS4 Homma, Kenji; Yonemura, Masao; Kobayashi, Takeshi Solid State Ionics, Vol. 182, Issue 1 https://doi.org/10.1016/j.ssi.2010.10.001	journal	February 2011
Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials Li, Zhuang; Yao, Jiyong; Wu, Yicheng Crystal Growth & Design, Vol. 20, Issue 11 https://doi.org/10.1021/acs.cgd.0c01234	journal	October 2020
Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship Liang, Fei; Kang, Lei; Lin, Zheshuai Crystal Growth & Design, Vol. 17, Issue 4 https://doi.org/10.1021/acs.cgd.7b00214	journal	March 2017
Phase Transition, Conformational Exchange, and Nonlinear Optical Third Harmonic Generation of A CsP ₂ Se ₈ ( A = K, Rb, Cs) Haynes, Alyssa S.; Banerjee, Abhishek; Saouma, Felix O. Chemistry of Materials, Vol. 28, Issue 7 https://doi.org/10.1021/acs.chemmater.6b00551	journal	March 2016
Phase-Matching in Nonlinear Optical Compounds: A Materials Perspective Zhang, Weiguo; Yu, Hongwei; Wu, Hongping Chemistry of Materials, Vol. 29, Issue 7 https://doi.org/10.1021/acs.chemmater.7b00243	journal	March 2017
Synthesis, Structure, and Rigid Unit Mode-like Anisotropic Thermal Expansion of BaIr ₂ In ₉ Calta, Nicholas P.; Han, Fei; Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 54, Issue 17 https://doi.org/10.1021/acs.inorgchem.5b01421	journal	August 2015
Use of molten alkali-metal polythiophosphate fluxes for synthesis at intermediate temperatures. Isolation and structural characterization of ABiP2S7 (A = K, Rb) McCarthy, Timothy J.; Kanatzidis, Mercouri G. Chemistry of Materials, Vol. 5, Issue 8 https://doi.org/10.1021/cm00032a004	journal	August 1993
Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials Chung, In; Kanatzidis, Mercouri G. Chemistry of Materials, Vol. 26, Issue 1 https://doi.org/10.1021/cm401737s	journal	August 2013
Strongly Nonlinear Optical Glass Fibers from Noncentrosymmetric Phase-Change Chalcogenide Materials Chung, In; Jang, Joon I.; Malliakas, Christos D. Journal of the American Chemical Society, Vol. 132, Issue 1 https://doi.org/10.1021/ja908839s	journal	December 2009
Soluble Semiconductors AAsSe ₂ (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study Bera, Tarun K.; Jang, Joon I.; Song, Jung-Hwan Journal of the American Chemical Society, Vol. 132, Issue 10 https://doi.org/10.1021/ja9094846	journal	March 2010
Structure Tuning, Strong Second Harmonic Generation Response, and High Optical Stability of the Polar Semiconductors Na_1–xK_xAsQ₂ Iyer, Abishek K.; Cho, Jeong Bin; Byun, Hye Ryung Journal of the American Chemical Society, Vol. 143, Issue 43 https://doi.org/10.1021/jacs.1c07993	journal	October 2021
Heteroanionic Control of Exemplary Second-Harmonic Generation and Phase Matchability in 1D LiAsS_2–xSe_x Oxley, Benjamin M.; Cho, Jeong Bin; Iyer, Abishek K. Journal of the American Chemical Society, Vol. 144, Issue 30 https://doi.org/10.1021/jacs.2c05447	journal	July 2022
Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis Kang, Lei; Zhou, Molin; Yao, Jiyong Journal of the American Chemical Society, Vol. 137, Issue 40 https://doi.org/10.1021/jacs.5b07920	journal	September 2015
Polycrystalline SnSe with a thermoelectric figure of merit greater than the single crystal Zhou, Chongjian; Lee, Yong Kyu; Yu, Yuan Nature Materials, Vol. 20, Issue 10 https://doi.org/10.1038/s41563-021-01064-6	journal	August 2021
LINEAR AND NONLINEAR OPTICAL PROPERTIES OF ZnGeP ₂ AND CdSe Boyd, G. D.; Buehler, E.; Storz, F. G. Applied Physics Letters, Vol. 18, Issue 7 https://doi.org/10.1063/1.1653673	journal	April 1971
LiNbO₃: AN EFFICIENT PHASE MATCHABLE NONLINEAR OPTICAL MATERIAL Boyd, G. D.; Miller, Robert C.; Nassau, K. Applied Physics Letters, Vol. 5, Issue 11 https://doi.org/10.1063/1.1723604	journal	December 1964
High-sensitivity detection of TNT Pushkarsky, M. B.; Dunayevskiy, I. G.; Prasanna, M. Proceedings of the National Academy of Sciences, Vol. 103, Issue 52 https://doi.org/10.1073/pnas.0609789104	journal	December 2006
Probing Ferroelectrics Using Optical Second Harmonic Generation Denev, Sava A.; Lummen, Tom T. A.; Barnes, Eftihia Journal of the American Ceramic Society, Vol. 94, Issue 9 https://doi.org/10.1111/j.1551-2916.2011.04740.x	journal	August 2011
Nonlinear Optics for High-Speed Digital Information Processing Cotter, D. Science, Vol. 286, Issue 5444 https://doi.org/10.1126/science.286.5444.1523	journal	November 1999
New Data on the Nonlinear Optical Constant, Phase-Matching, and Optical Damage of AgGaS ₂ Harasaki, Akiko; Kato, Kiyoshi Japanese Journal of Applied Physics, Vol. 36, Issue Part 1, No. 2 https://doi.org/10.1143/JJAP.36.700	journal	February 1997
Mid-IR absorption in AgGaSe_2 optical parametric oscillator crystals Catella, G. C.; Shiozawa, L. R.; Hietanen, J. R. Applied Optics, Vol. 32, Issue 21 https://doi.org/10.1364/AO.32.003948	journal	July 1993
Mid-Infrared Coherent Sources and Applications: introduction Ebrahim-Zadeh, Majid; Leo, Giuseppe; Sorokina, Irina Journal of the Optical Society of America B, Vol. 35, Issue 12 https://doi.org/10.1364/JOSAB.35.00MIC1	journal	November 2018
Potassium titanyl phosphate: properties and new applications Bierlein, John D.; Vanherzeele, Herman Journal of the Optical Society of America B, Vol. 6, Issue 4 https://doi.org/10.1364/JOSAB.6.000622	journal	January 1989
Medical applications of mid-IR lasers Problems and prospects Serebryakov, V. A.; Boĭko, É. V.; Petrishchev, N. N. Journal of Optical Technology, Vol. 77, Issue 1 https://doi.org/10.1364/JOT.77.000006	journal	January 2010
Optical parametric oscillation in quasi-phase-matched GaAs Vodopyanov, K. L.; Levi, O.; Kuo, P. S. Optics Letters, Vol. 29, Issue 16 https://doi.org/10.1364/OL.29.001912	journal	August 2004

Similar Records

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

Journal Article · Thu Mar 06 19:00:00 EST 2025 · Advanced Optical Materials · OSTI ID:2997501

Heteroanionic Control of Exemplary Second-Harmonic Generation and Phase Matchability in 1D LiAsS_2–xSe_x

Journal Article · Thu Jul 21 20:00:00 EDT 2022 · Journal of the American Chemical Society · OSTI ID:1908127

Related Subjects

36 MATERIALS SCIENCE
chalcogenides
crystals
infrared laser
polymorphic transitions
second harmonic generation

Stabilization of the Polar Structure and Giant Second-Order Nonlinear Response of Single Crystal γ-NaAs0.95Sb0.05Se2

Citation Formats

References (34)

Similar Records

Related Subjects

Stabilization of the Polar Structure and Giant Second-Order Nonlinear Response of Single Crystal γ-NaAs_0.95Sb_0.05Se₂