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RESEARCH PAPER · Annual Review of Materials Research · 2023

Design Principles for Noncentrosymmetric Materials

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Design Principles for Noncentrosymmetric MaterialsOriginalMagnetism and spin dynamics of an S=3/2 frustrated trillium lattice antiferromagnet K2CrTi(PO4)30Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions5Nonlinear optical, dielectric, and piezoelectric properties of hexagonal fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd, Pb) from first principles3Modeling Morphologies of Organic Crystals via Kinetic Monte Carlo Simulations: Noncentrosymmetric Growth Units7Magnetism and spin dynamics of the S = 32 frustrated trillium lattice compound K2CrTi(PO4)314Ba4RuMn2O10: A Noncentrosymmetric Polar Crystal Structure with Disordered Trimers1Chiral Metal Self‐Assemblies of Zirconium‐Tetrahedra and Their Second Harmonic Generation Activity6Chiral Metal Self‐Assemblies of Zirconium‐Tetrahedra and Their Second Harmonic Generation Activity0Cation Equivalent Multisubstitution Realizing Structure Transformation and Balanced Nonlinear Optical Performance of Quaternary Eu-Based Chalcogenides8Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O0Compositional Design Guides Property Control in A 2 M 2+ x Ti 1–( x /4) Q 4 Semiconductors6Flow Electrochemical Synthesis and Packing Structure-Dependent Photophysical Properties of Sulfur-Containing Polycyclic Aromatic Hydrocarbons3Antibonding and electronic instabilities in GdRu 2 X 2 (X = Si, Ge, and Sn): a new pathway toward developing centrosymmetric skyrmion materials4Molecular Ferroelectric Exhibiting a 10-Fold Enhancement in Second Harmonic Generation over KDP6Treasure Map toward Skyrmion Evolution in Ambient Conditions: A Perspective on Electronic Instabilities and the Density of Energy1Angular strain-induced polarization in a ferroelectric ammonium cyclic phosphate and its wind speed sensing application0Carborane-Functionalized D-π-A Compounds: Second-order Nonlinear Optical Materials with Reversible Photoisomerization Ability0Metallic Nature and Optical Anisotropy in CsLa: A CASTEP‐Based Investigation0Discovery of Noncentrosymmetric Sr 3 As 2 S 7 and Sr 3 As 2 Se 2.5 S 4.5 Featuring As 3+ /As 5+ Coordination and Their Strong Nonlinear Optical Response2Hydrogen-Bond-Directed Assembly of an Intramolecular Charge-Transfer Compound for Second-Order Nonlinear Optics1Crystal chemical aspects of solid solutions – natural resources, applications and basic research1Second-order nonlinear optical organic crystals exhibit reversible photoisomerization0Synthesis, Crystal Structure, and Properties of New Layered Rare-Earth Selenites Ln(HSeO3)(SeO3)·2H2O (Ln = Yb, Dy, Eu)0

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  1. Magnetism and spin dynamics of an S=3/2 frustrated trillium lattice antiferromagnet K2CrTi(PO4)3

    arXiv (Cornell University) · 2024-01-24

    J. Khatua, Suheon Lee, Ban, Gyungbin, M. Uhlarz, Kwang‐Yong Choi, P. Khuntia

    Read original paper ↗ ·
  2. Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions

    Advanced Materials · 2024-03-20

    Xudong Huai, Emmanuel Acheampong, Erich Delles, Michal Jerzy Winiarski, Maurice Sorolla, Lila S. Nassar, Mingli Liang, Caleb Ramette, Huiwen Ji, Allen O. Scheie, Stuart Calder, Martin Mourigal, T. Thao Tran

    Read original paper ↗ ·
  3. Nonlinear optical, dielectric, and piezoelectric properties of hexagonal fluorocarbonates ABCO3F (A: K, Rb, Cs; B: Mg, Ca, Sr, Zn, Cd, Pb) from first principles

    Journal of Nonlinear Optical Physics & Materials · 2024-04-19

    Yu. N. Zhuravlev, Victor V. Atuchin∥⊥

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  4. Modeling Morphologies of Organic Crystals via Kinetic Monte Carlo Simulations: Noncentrosymmetric Growth Units

    Crystal Growth & Design · 2024-04-22

    Tobias Mazal, Michael F. Doherty

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  5. Magnetism and spin dynamics of the S = 32 frustrated trillium lattice compound K2CrTi(PO4)3

    Physical review. B./Physical review. B · 2024-05-17

    J. Khatua, Suheon Lee, Gyungbin Ban, M. Uhlarz, G. Senthil Murugan, Raman Sankar, Bassam Hitti, Gerald Morris, Kwang-Yong Choi, P. Khuntia

    Read original paper ↗ ·
  6. Ba4RuMn2O10: A Noncentrosymmetric Polar Crystal Structure with Disordered Trimers

    Chemistry of Materials · 2024-06-11

    Callista M. Skaggs, Peter Siegfried, Jun Sang Cho, Yan Xin, Vasile Ovidiu Garlea, Keith M. Taddei, Hari Bhandari, Mark Croft, N. Ghimire, Joon Ik Jang, Xiaoyan Tan

    Read original paper ↗ ·
  7. Chiral Metal Self‐Assemblies of Zirconium‐Tetrahedra and Their Second Harmonic Generation Activity

    Angewandte Chemie International Edition · 2024-10-29

    Ermeng Han, Y.J. Li, Tun Wu, Qixia Bai, Zhe Zhang, Jie George Yuan, Wei Liu, Die Liu, Yiming Li, Pingshan Wang

    Read original paper ↗ ·
  8. Chiral Metal Self‐Assemblies of Zirconium‐Tetrahedra and Their Second Harmonic Generation Activity

    Angewandte Chemie · 2024-10-29

    Ermeng Han, Y.J. Li, Tun Wu, Qixia Bai, Zhe Zhang, Jie George Yuan, Wei Liu, Die Liu, Yiming Li, Pingshan Wang

    Read original paper ↗ ·
  9. Cation Equivalent Multisubstitution Realizing Structure Transformation and Balanced Nonlinear Optical Performance of Quaternary Eu-Based Chalcogenides

    Inorganic Chemistry · 2025-05-30

    Fang-Xu Tian, Wen‐Dong Yao, Wenfeng Zhou, Jing Zhu, Sheng‐Ping Guo

    Read original paper ↗ ·
  10. Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O

    Inorganic Chemistry · 2025-06-09

    Peng Jiang, Wenhu Wang, Juhui Cui, Ping Bai, Hongli Wu, Minqiang Gai

    Read original paper ↗ ·
  11. Compositional Design Guides Property Control in A 2 M 2+ x Ti 1–( x /4) Q 4 Semiconductors

    Journal of the American Chemical Society · 2025-07-11

    Michael A. Viti, Zhi Li, Craig C. Laing, Chris M. Wolverton, Mercouri G. Kanatzidis

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  12. Flow Electrochemical Synthesis and Packing Structure-Dependent Photophysical Properties of Sulfur-Containing Polycyclic Aromatic Hydrocarbons

    Crystal Growth & Design · 2025-10-03

    Songhua Chen, Xiangzhao Zhu, Ruiying Zhang, Weizhen Wang, Yaqi Lu, Zhihua Wang, Jialiang Xu, Ke‐Yin Ye, Yuanming Li, Yaofeng Yuan

    Read original paper ↗ ·
  13. Antibonding and electronic instabilities in GdRu 2 X 2 (X = Si, Ge, and Sn): a new pathway toward developing centrosymmetric skyrmion materials

    Journal of Materials Chemistry C · 2025-10-22

    Dasuni Rathnaweera, Xudong Huai, Ramesh Kumar, Yixu Wang, Jane Schlesinger, Christopher J. Bartel, Sumanta Tewari, Michal Jerzy Winiarski, Richard Dronskowski, Thao T. Tran

    Read original paper ↗ ·
  14. Molecular Ferroelectric Exhibiting a 10-Fold Enhancement in Second Harmonic Generation over KDP

    Inorganic Chemistry · 2025-12-15

    Yi Chang Wu, Panyun Song, Xunpeng Li, Xiao Wei Sun, Wenjing Guo, Zhenhong Wei, Hu Cai

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  15. Treasure Map toward Skyrmion Evolution in Ambient Conditions: A Perspective on Electronic Instabilities and the Density of Energy

    Chemistry of Materials · 2025-12-17

    Xudong Huai, T. Thao Tran

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  16. Angular strain-induced polarization in a ferroelectric ammonium cyclic phosphate and its wind speed sensing application

    Journal of Materials Chemistry A · 2026-01-01

    Vikash Kushwaha, Darshan Yuvraj Sawant, Antonysylvester Kirana, Subham Kumar Mahato, Jan K. Zaręba, Ramamoorthy Boomishankar

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  17. Carborane-Functionalized D-π-A Compounds: Second-order Nonlinear Optical Materials with Reversible Photoisomerization Ability

    SSRN Electronic Journal · 2026-01-01

    Xiao-Xiao Zhu, Songhua Chen, Zhihua Wang, Jianfeng Yan, Yaqi Lu, Jiabei Xu, Yaofeng Yuan

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  18. Metallic Nature and Optical Anisotropy in CsLa: A CASTEP‐Based Investigation

    Advances in Condensed Matter Physics · 2026-01-01

    M. Mizanur Rahman, Nilufer Yesmin Tanisa, Asif Parvez, Mst Afroza Akter

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  19. Discovery of Noncentrosymmetric Sr 3 As 2 S 7 and Sr 3 As 2 Se 2.5 S 4.5 Featuring As 3+ /As 5+ Coordination and Their Strong Nonlinear Optical Response

    Chemistry of Materials · 2026-01-27

    Vidyanshu Mishra, Jinseong Kim, Joshua Lim, Manya Rishi, Joon Ik Jang, Abishek K. Iyer

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  20. Hydrogen-Bond-Directed Assembly of an Intramolecular Charge-Transfer Compound for Second-Order Nonlinear Optics

    Crystal Growth & Design · 2026-03-17

    Songhua Chen, Xiao-Xiao Zhu, Xin DanDan, Yaqi Lu, Mengyu Liu, Wang Xinghua, Yuan Yu

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  21. Crystal chemical aspects of solid solutions – natural resources, applications and basic research

    Zeitschrift für Kristallographie - Crystalline Materials · 2026-03-19

    Elias C. J. Gießelmann, Rainer Pöttgen, Oliver Janka

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  22. Second-order nonlinear optical organic crystals exhibit reversible photoisomerization

    Chinese Journal of Structural Chemistry · 2026-07-01

    Zhu Xiangzhao, Songhua Chen, Zi Wang, Yan Jianfeng, Xin DanDan, Jialiang Xu, Yaofeng Yuan

    Read original paper ↗ ·
  23. Synthesis, Crystal Structure, and Properties of New Layered Rare-Earth Selenites Ln(HSeO3)(SeO3)·2H2O (Ln = Yb, Dy, Eu)

    Photonics · 2026-08-21

    Lingli Li, Lianzheng Su, Bingxing Zhang, Kaiyue Xie, Xuyang Feng, Meihua Yan, Xueling Yang, Zhimei Wang, Jun Ma, Hang Zhao, Tianyu Mao, Xinxin Shang, Bingying Pan

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