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RESEARCH PAPER · RSC Advances · 2015

Theoretical perspective of the lone pair activity influence on band gap and SHG response of lead borates

Danni Li, Qun Jing, Lei Chen, Shilie Pan, Bingbing Zhang, Zhihua Yang

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Theoretical perspective of the lone pair activity influence on band gap and SHG response of lead boratesOriginalExperimental and theoretical study of the electronic structure and optical spectral features of PbIn 6 Te 1013Influences of the Pb 6s 2 lone pair effect and quantum size effect on the diffusion of oxygen atoms on Pb(111) films1KPb 2 (PO 3 ) 5 : a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge109Manipulation of birefringence via substitution of Sr 2+ by Pb 2+ based on the structure model of LiSr 1−x Pb x BO 3 (0 ≤ x ≤ 0.5)5Lead nitrate hydroxide: A strong second-order optical nonlinearity acentric crystal with high laser damage thresholds13Exploring the electronic structure of Pb2+ ions containing material Pb16(OH)16(NO3)162The influence of oxygen vacancies on the linear and nonlinear optical properties of Pb 7 O(OH) 3 (CO 3 ) 3 (BO 3 )41Two haloid borate crystals with large nonlinear optical response32First-principles study lone-pair effects of Sb (III)-S chromophore influence on SHG response in quaternary potassium containing silver antimony sulfides12Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal148DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion13Novel ternary semiconductor CdLa2X4 (X=S or Se) single crystal with efficient second harmonic generation in the visible spectral range11The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge75GaAs monolayer: Excellent SHG responses and semi metallic to metallic transition modulated by vacancy effect18Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials95Second-order nonlinear optical crystals with mixed anions250Two new mixed metal borates with the large birefringence in borates system confirmed by a disordered crystal optical calculation method6Noncentrosymmetric Sulfide Oxide MZnSO (M = Ca or Sr) with Strongly Polar Structure as Novel Nonlinear Crystals43Ca 2 B 5 O 9 Cl and Sr 2 B 5 O 9 Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows46Theoretical investigation of spin–orbit coupling on structural, electronic and optical properties for CuAB2 (A = Sb, Bi; B = S, Se) compounds using Tran–Blaha-modified Becke–Johnson method: A first-principles approach39A Cation-Driven Approach toward Deep-Ultraviolet Nonlinear Optical Materials17Two New Polar Antimony(III) Tartrates with Unusual Structural Building Units1Designing High-Performance Short-Wave UV Tellurium-Based Mixed Halides Birefringent Crystals via Halogen Substitution Engineering4Ferroelastic phase transition in lead bismuth borate, PbBiOBO30

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24 direct citing papers saved.

  1. Experimental and theoretical study of the electronic structure and optical spectral features of PbIn 6 Te 10

    RSC Advances · 2016-01-01

    A.H. Reshak, O.V. Parasyuk, Hussin Kamarudin, Ivan V. Kityk, Z.A. Alahmed, Nasser Saleh Alzayed, S. Auluck, A.O. Fedorchuk, J. Chyský

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  2. Influences of the Pb 6s 2 lone pair effect and quantum size effect on the diffusion of oxygen atoms on Pb(111) films

    RSC Advances · 2016-01-01

    Ziyu Hu, Hao Lu, Shengli Zhang, Haibo Zeng

    Read original paper ↗ ·

  3. KPb 2 (PO 3 ) 5 : a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge

    Journal of Materials Chemistry C · 2016-01-01

    Maierhaba Abudoureheman, Shujuan Han, Bing‐Hua Lei, Zhihua Yang, Xifa Long, Shilie Pan

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  4. Manipulation of birefringence via substitution of Sr 2+ by Pb 2+ based on the structure model of LiSr 1−x Pb x BO 3 (0 ≤ x ≤ 0.5)

    New Journal of Chemistry · 2016-01-01

    Miriding Mutailipu, Dianwei Hou, Min Zhang, Zhihua Yang, Shilie Pan

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  5. Lead nitrate hydroxide: A strong second-order optical nonlinearity acentric crystal with high laser damage thresholds

    Journal of Applied Physics · 2016-03-11

    A.H. Reshak

    Read original paper ↗ ·

  6. Exploring the electronic structure of Pb2+ ions containing material Pb16(OH)16(NO3)16

    Journal of Physics and Chemistry of Solids · 2016-08-28

    A.H. Reshak

    Read original paper ↗ ·

  7. The influence of oxygen vacancies on the linear and nonlinear optical properties of Pb 7 O(OH) 3 (CO 3 ) 3 (BO 3 )

    RSC Advances · 2017-01-01

    A.H. Reshak, S. Auluck

    Read original paper ↗ ·

  8. Two haloid borate crystals with large nonlinear optical response

    Physical Chemistry Chemical Physics · 2017-01-01

    A.H. Reshak, S. Auluck

    Read original paper ↗ ·

  9. First-principles study lone-pair effects of Sb (III)-S chromophore influence on SHG response in quaternary potassium containing silver antimony sulfides

    Journal of Solid State Chemistry · 2017-03-06

    Junben Huang, Xin Su, Dianwei Hou, Bing‐Hua Lei, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  10. Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal

    Scientific Reports · 2017-04-13

    A.H. Reshak

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  11. DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion

    Inorganic Chemistry · 2017-04-27

    Beenish Bashir, Bingbing Zhang, Ming‐Hsien Lee, Shilie Pan, Zhihua Yang

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  12. Novel ternary semiconductor CdLa2X4 (X=S or Se) single crystal with efficient second harmonic generation in the visible spectral range

    Journal of Alloys and Compounds · 2017-09-01

    A.H. Reshak

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  13. The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge

    Chemical Communications · 2018-01-01

    Miriding Mutailipu, Min Zhang, Bingbing Zhang, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  14. GaAs monolayer: Excellent SHG responses and semi metallic to metallic transition modulated by vacancy effect

    Applied Surface Science · 2018-02-05

    Ilmira Rozahun, Tohtiaji Bahti, Guijie He, Yasenjan Ghupur, Abduleziz Ablat, Mamatrishat Mamat

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  15. Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials

    ACS Applied Materials & Interfaces · 2018-07-12

    Cong Hu, Bingbing Zhang, Bing‐Hua Lei, Shilie Pan, Zhihua Yang

    Read original paper ↗ ·

  16. Second-order nonlinear optical crystals with mixed anions

    Coordination Chemistry Reviews · 2018-08-06

    Yu Pan, Sheng‐Ping Guo, Bin‐Wen Liu, Huaiguo Xue, Guo‐Cong Guo

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  17. Two new mixed metal borates with the large birefringence in borates system confirmed by a disordered crystal optical calculation method

    Journal of Alloys and Compounds · 2018-09-01

    Xueyan Zhang, Shichao Cheng, Ming Wen, Hongyi Li, Jun Zhang

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  18. Noncentrosymmetric Sulfide Oxide MZnSO (M = Ca or Sr) with Strongly Polar Structure as Novel Nonlinear Crystals

    The Journal of Physical Chemistry C · 2019-10-18

    A.H. Reshak, Nada Mutter Abbass, Jiří Bíla, Mohd Rafie Johan, Ivan V. Kityk

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  19. Ca 2 B 5 O 9 Cl and Sr 2 B 5 O 9 Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows

    ACS Applied Materials & Interfaces · 2020-01-07

    Zujian Wang, Jiangang He, Bing Hu, Pai Shan, Zheyao Xiong, Rongbing Su, Chao He, Xiaoming Yang, Xifa Long

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  20. Theoretical investigation of spin–orbit coupling on structural, electronic and optical properties for CuAB2 (A = Sb, Bi; B = S, Se) compounds using Tran–Blaha-modified Becke–Johnson method: A first-principles approach

    Journal of Alloys and Compounds · 2020-03-10

    N. Prudhvi Raju, Rajalingam Thangavel

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  21. A Cation-Driven Approach toward Deep-Ultraviolet Nonlinear Optical Materials

    Research · 2023-01-01

    Cong Hu, Meng Cheng, Wenqi Jin, Jian Wei Han, Zhihua Yang, Shilie Pan

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  22. Two New Polar Antimony(III) Tartrates with Unusual Structural Building Units

    Crystal Research and Technology · 2023-10-26

    Ivana Cı́sařová, P. Becker, Irena Matulková, Ivan Němec, Petr Němec, L. Bohatý

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  23. Designing High-Performance Short-Wave UV Tellurium-Based Mixed Halides Birefringent Crystals via Halogen Substitution Engineering

    Crystal Growth & Design · 2025-06-24

    Xiang Mao, Yu Yan, Yingzi Zhang, Xuehua Dong, Ling Huang, Liling Cao, Daojiang Gao, Guohong Zou

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  24. Ferroelastic phase transition in lead bismuth borate, PbBiOBO3

    Journal of Physics and Chemistry of Solids · 2026-05-12

    P. Becker, Ivana Cı́sařová, Irena Matulková, Ivan Němec, Jan Rohlíček, L. Bohatý

    Read original paper ↗ ·
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