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RESEARCH PAPER · The Journal of Physical Chemistry B · 2013

Influence of Replacing Si by Ge in the Chalcogenide Quaternary Sulfides Ag2In2Si(Ge)S6 on the Chemical Bonding, Linear and Nonlinear Optical Susceptibilities, and Hyperpolarizability

A.H. Reshak, Ivan V. Kityk, O.V. Parasyuk, Hussin Kamarudin, S. Auluck

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Influence of Replacing Si by Ge in the Chalcogenide Quaternary Sulfides Ag2In2Si(Ge)S6 on the Chemical Bonding, Linear and Nonlinear Optical Susceptibilities, and HyperpolarizabilityOriginalBa8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure106Structural, elastic, thermal, electronic and optical properties of Ag2O under pressure20Ab initio study of TaON, an active photocatalyst under visible light irradiation172Linear and nonlinear optical properties for AA and AB stacking of carbon nitride polymorph (C 3 N 4 )33GaSe:Er3+ crystals for SHG in the infrared spectral range26Controllable synthesis of colloidal CuInS2 nanocrystals with tunable structures and its nonlinear optical properties11Characterization of optical quality of GaSe:Al crystals by exciton absorption peak parameters11Synthesis, structural aspects and nonlinear optical properties of novel phthalimide derivatives: theoretical and experimental approach2Electronic structure and optical properties of lithium tetraborate detector calculated using semi-local exchange correlation potential19Structures and third-order nonlinear optical properties of two cobalt(II) coordination polymers constructed from bis(imidazol-l-yl-methyl)benzene and aromatic dicarboxylic ligands11Optoelectronic properties of XIn2S4 (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations34Designing the syntheses and photophysical simulations of noncentrosymmetric compounds17Ground state and electronic structures of the series Li2Cu1−xSxSb with (x = 0, 1/8, 2/8, 3/8, 4/8, 5/8, 6/8, 7/8, 1)1The influence of replacing Se by Te on electronic structure and optical properties of Tl 4 PbX 3 (X = Se or Te): experimental and theoretical investigations10Transport properties of g-BC 3 and t-BC 3 phases31Growth and optical properties of single AgGaGe5Se12 (AGGSe) crystal7Dispersion of electronic bands in intermetallic compound LiBe and related properties3Study of systematic trends in electronic and optical properties within ZnM2O4 (M = Co, Rh, Ir) family by FPLAPW method with PBE and TB-mBJ potentials24Structural, elastic, electronic and optical properties of new layered semiconductor BaGa2P211Theoretical investigation of some specific features of the electronic structure and optical properties of Benzoic Acid 2-Amino-4,6-Dimethylpyrimidine (1:1) co-crystals4Characterization of defect states in Ag0.5Cu0.5In5S8 solid solution by photoluminescence and thermally stimulated current1First-Principle and Experimental Study of a Gadolinium-Praseodymium-Cobalt Pseudobinary Intermetallic Compound7Mixed alkali and alkaline-earth borate Li2Sr4B12O23 single crystal0Shape-controlled synthesis of water-soluble AgInSe2 nanocrystals by a convenient solvothermal approach8Novel AgGa 0.95 In 0.05 Ge 3 Se 8 crystalline alloys for light-operated piezoelectricity11Laser operated piezoelectricity in Ag0.5Pb1.75GeS4 and Ag0.5Pb1.75GeS3Se crystals3Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity44Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases208Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S1625A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances253The effect of composition on photoconductivity and nonlinear optical properties in the acentric Ag2In2AB6 (A = Si, Ge, B = S, Se) crystals4Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm)35Non-centrosymmetric sulfides A 2 Ba 6 MnSn 4 S 16 (A = Li, Ag): syntheses, structures and properties21Introduction of Li into Ag-Based Noncentrosymmetric Sulfides for High-Performance Infrared Nonlinear Optical Materials40Impact of structure complexity on optoelectronic and non-linear optical properties in quaternary Ag(Pb)–Ga(In)–Si(Ge)–S(Se) systems13From CsKTaF7 to CsNaTaF7: Alkali Metal Cations Regulation to Generate SHG Activity**22Anisotropic Thermal Expansion and Electronic Structure of LiInSe222Temperature dependence of the properties of the Li0.81Ag0.19InSe2 nonlinear crystal0

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  1. Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure

    Chemistry of Materials · 2013-12-17

    Zhong‐Zhen Luo, Chensheng Lin, Weilong Zhang, Hao Zhang, Zhangzhen He, Wen‐Dan Cheng

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  2. Structural, elastic, thermal, electronic and optical properties of Ag2O under pressure

    Computational Materials Science · 2013-12-25

    Haleem Ud Din, A.H. Reshak

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  3. Ab initio study of TaON, an active photocatalyst under visible light irradiation

    Physical Chemistry Chemical Physics · 2014-01-01

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  4. Linear and nonlinear optical properties for AA and AB stacking of carbon nitride polymorph (C 3 N 4 )

    RSC Advances · 2014-01-01

    A.H. Reshak, Saleem Ayaz Khan, S. Auluck

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  5. GaSe:Er3+ crystals for SHG in the infrared spectral range

    Optics Communications · 2014-01-04

    Z.-S. Feng, J. Guo, Jingyi Xie, L.-M. Zhang, Jinling Gao, Yu. М. Andreev, Tatyana I. Izaak, К. А. Кох, Г. В. Ланский, Anna V. Shaiduko, Anastasiia V. Shabalina, В. А. Светличный

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  6. Controllable synthesis of colloidal CuInS2 nanocrystals with tunable structures and its nonlinear optical properties

    Journal of Alloys and Compounds · 2014-01-25

    Zhaoping Chen, Cuiping Xie, Fan Yang, Feng Li, Xiaojuan Liang, Weidong Xiang

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  7. Characterization of optical quality of GaSe:Al crystals by exciton absorption peak parameters

    Journal of Materials Science Materials in Electronics · 2014-02-18

    J. Guo, Jianjun Xie, L.-M. Zhang, К. А. Кох, Yu. М. Andreev, Tatyana I. Izaak, Г. В. Ланский, Anna V. Shaiduko, В. А. Светличный

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  8. Synthesis, structural aspects and nonlinear optical properties of novel phthalimide derivatives: theoretical and experimental approach

    Journal of Physical Organic Chemistry · 2014-02-19

    Anil Kumar Singh, Ram Kishan, Vijay Bahadur, N. Vijayan, Vadivelu Balachandran, Hemandra Kumar Tiwari, Brajendra K. Singh, Brijesh Rathi

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  9. Electronic structure and optical properties of lithium tetraborate detector calculated using semi-local exchange correlation potential

    Computational Materials Science · 2014-08-17

    Cledson dos Santos, A.F. Lima, Milan V. Lalic

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  10. Structures and third-order nonlinear optical properties of two cobalt(II) coordination polymers constructed from bis(imidazol-l-yl-methyl)benzene and aromatic dicarboxylic ligands

    Inorganic Chemistry Communications · 2014-10-24

    Ning Zhao, Ping Liu, Caixia An, Tianxi Wang, Zhaoxun Lian

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  11. Optoelectronic properties of XIn2S4 (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations

    Journal of Alloys and Compounds · 2014-11-23

    Masood Yousaf, Sadiq Abubakar Dalhatu, Ghulam Murtaza, R. Khenata, Muhammad Sajjad, A. Musa, H. A. Rahnamaye Aliabad, M. Alam Saeed

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  12. Designing the syntheses and photophysical simulations of noncentrosymmetric compounds

    Inorganic Chemistry Frontiers · 2014-12-01

    Wen‐Dan Cheng, Chensheng Lin, Zhong‐Zhen Luo, Hao Zhang

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  13. Ground state and electronic structures of the series Li2Cu1−xSxSb with (x = 0, 1/8, 2/8, 3/8, 4/8, 5/8, 6/8, 7/8, 1)

    Computational Condensed Matter · 2014-12-15

    Saied M. Soliman

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  14. The influence of replacing Se by Te on electronic structure and optical properties of Tl 4 PbX 3 (X = Se or Te): experimental and theoretical investigations

    RSC Advances · 2015-01-01

    A.H. Reshak, Z.A. Alahmed, I. E. Barchiy, M. Yu. Sabov, Kazimierz J. Plucinski, Ivan V. Kityk, A.O. Fedorchuk

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  15. Transport properties of g-BC 3 and t-BC 3 phases

    RSC Advances · 2015-01-01

    A.H. Reshak

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  16. Growth and optical properties of single AgGaGe5Se12 (AGGSe) crystal

    Optical Materials · 2015-02-20

    Youbao Ni, Haixin Wu, Rui‐Chun Xiao, Changbao Huang, Zhenyou Wang, Mingsheng Mao, Ming Qi, Ganchao Cheng

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  17. Dispersion of electronic bands in intermetallic compound LiBe and related properties

    Indian Journal of Physics · 2015-04-03

    A.H. Reshak

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  18. Study of systematic trends in electronic and optical properties within ZnM2O4 (M = Co, Rh, Ir) family by FPLAPW method with PBE and TB-mBJ potentials

    Optical Materials · 2015-04-06

    Saurabh Samanta

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  19. Structural, elastic, electronic and optical properties of new layered semiconductor BaGa2P2

    Optical Materials · 2015-04-18

    Abdelmadjid Bouhemadou, R. Khenata, Saad Bin-Omran, Ghulam Murtaza, Yarub Al-Douri

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  20. Theoretical investigation of some specific features of the electronic structure and optical properties of Benzoic Acid 2-Amino-4,6-Dimethylpyrimidine (1:1) co-crystals

    Optical Materials · 2015-05-02

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  21. Characterization of defect states in Ag0.5Cu0.5In5S8 solid solution by photoluminescence and thermally stimulated current

    Optical Materials · 2015-05-14

    Nizami Mamed Gasanly

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  22. First-Principle and Experimental Study of a Gadolinium-Praseodymium-Cobalt Pseudobinary Intermetallic Compound

    Journal of Materials · 2015-06-28

    Jon C. Goldsby, Sai V. Raj, Sivaraman Guruswamy, Daniel David Azbill

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  23. Mixed alkali and alkaline-earth borate Li2Sr4B12O23 single crystal

    Optical Materials · 2015-08-07

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  24. Shape-controlled synthesis of water-soluble AgInSe2 nanocrystals by a convenient solvothermal approach

    Materials Letters · 2015-09-06

    Zhongping Liu, Xuemei Yang, Zhi Wang, Hongxue Qi, Lanxiang Ji, Xiaodong Li, Chunyan Ma, Zhihua Deng, Jianguo Deng

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  25. Novel AgGa 0.95 In 0.05 Ge 3 Se 8 crystalline alloys for light-operated piezoelectricity

    Journal of Alloys and Compounds · 2015-10-30

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  26. Laser operated piezoelectricity in Ag0.5Pb1.75GeS4 and Ag0.5Pb1.75GeS3Se crystals

    Journal of Materials Science Materials in Electronics · 2016-05-26

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  27. Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity

    Journal of Materials Chemistry C · 2017-01-01

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  28. Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases

    Inorganic Chemistry · 2017-03-09

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  29. Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S16

    Crystal Growth & Design · 2018-08-16

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  30. A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances

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  31. The effect of composition on photoconductivity and nonlinear optical properties in the acentric Ag2In2AB6 (A = Si, Ge, B = S, Se) crystals

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  32. Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm)

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  33. Non-centrosymmetric sulfides A 2 Ba 6 MnSn 4 S 16 (A = Li, Ag): syntheses, structures and properties

    Dalton Transactions · 2020-01-01

    Ruihuan Duan, Hua Lin, Yue Wang, Yuqiao Zhou, Li‐Ming Wu

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  34. Introduction of Li into Ag-Based Noncentrosymmetric Sulfides for High-Performance Infrared Nonlinear Optical Materials

    Inorganic Chemistry · 2021-03-16

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  35. Impact of structure complexity on optoelectronic and non-linear optical properties in quaternary Ag(Pb)–Ga(In)–Si(Ge)–S(Se) systems

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  36. From CsKTaF7 to CsNaTaF7: Alkali Metal Cations Regulation to Generate SHG Activity**

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  37. Anisotropic Thermal Expansion and Electronic Structure of LiInSe2

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  38. Temperature dependence of the properties of the Li0.81Ag0.19InSe2 nonlinear crystal

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