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RESEARCH PAPER · Advanced Materials · 2010

First‐Principles Studies on Novel Polar Oxide ZnSnO3; Pressure‐Induced Phase Transition and Electric Properties

Masanobu Nakayama, Masayuki Nogami, Masashi Yoshida, Tetsuhiro Katsumata, Yoshiyuki Inaguma

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First‐Principles Studies on Novel Polar Oxide ZnSnO3; Pressure‐Induced Phase Transition and Electric PropertiesOriginalFirst-principles calculations for elastic and electronic properties of ZnSnO3 under pressure32Energetic stability, structural transition, and thermodynamic properties of ZnSnO341A Theoretical Study on the Pressure-Induced Phase Transitions in the Inverse Spinel Structure Zn2SnO441Ultrahigh Sensitive Piezotronic Strain Sensors Based on a ZnSnO 3 Nanowire/ Microwire †,‡ Cheng-YingChen, †,^ YanZhang, † Kuan-HsuehChen, ‡ YaYang, † YoufanHu, † Jr-HauHe, ^ and0Lead-Free Nanogenerator Made from Single ZnSnO3 Microbelt140Ultrahigh Sensitive Piezotronic Strain Sensors Based on a ZnSnO 3 Nanowire/Microwire197Electronic, magnetic and dielectric properties of multiferroic MnTiO324Effect of solid inorganic salts on the formation of cubic-like aggregates of ZnSnO3 nanoparticles in solventless, organic-free reactions and their gas sensing behaviors17Dielectric properties of a polar ZnSnO3 with LiNbO3-type structure47Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study44Flexible and Transparent Nanogenerators Based on a Composite of Lead‐Free ZnSnO3 Triangular‐Belts121Thermodynamic stability of various phases of zinc tin oxides from ab initio calculations30Structural, Electronic, and Ferroelectric Properties of Compressed CdPbO3 Polymorphs16High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO 3 -Type Polar Titanate ZnTiO 3 and Its Reinforced Polarity by the Second-Order Jahn–Teller Effect152Fabrication and Properties of ZnSnO3 piezoelectric Films Deposited by a Pulsed Laser Deposition0Theoretical Ab Initio Calculations in Spinels at High Pressures3Controlled synthesis and structure tunability of photocatalytically active mesoporous metal-based stannate nanostructures24Structural and ferroelectric transitions in magnetic nickelate PbNiO3282DEGs at Perovskite Interfaces between KTaO3 or KNbO3 and Stannates41Evidence of Superior Ferroelectricity in Structurally Welded ZnSnO3 Nanowire Arrays36Sputtered metal oxide broken gap junctions for tandem solar cells17Intrinsic anomalous ferroelectricity in vertically aligned LiNbO3-type ZnSnO3 hybrid nanoparticle-nanowire arrays20Covalent effects in magnetic ferroelectrics Mn M O 3 ( M = Ti, Sn)12Transparent conducting properties of SrSnO3 and ZnSnO386Introduction to Rational Molecular Modeling Approaches0Synthesis of ZnSnO3 nanostructure by sol gel method22First-principles calculations of structural, elastic, and electronic properties of trigonal ZnSnO3 under pressure39Enhanced Ferroelectric and Visible‐Light Photoelectric Properties in Multiferroic KBiFe2O5 via Pressure‐Induced Phase Transition46Ferroelectric and piezoelectric oxide nanostructured films for energy harvesting applications10Cooperative Couplings between Octahedral Rotations and Ferroelectricity in Perovskites and Related Materials63Asymmetric covalence bonding between In 5s and O 2p states in ferroelectric InFeO39Density Functional Perturbation Theory to Predict Piezoelectric Properties4Theoretical prediction of piezoelectric property of new LiNbO3-type compound AlTlO30Large electrostrictive properties in lead-free BaTiO3–ZnSnO3 solid solutions10Current State of Studies on Synthesis and Application of Zinc Stannate (Review)30Growth Mechanism of Seed-Layer Free ZnSnO3 Nanowires: Effect of Physical Parameters33Hydrothermal synthesis of ZnSnO3 nanoparticles decorated on g-C3N4 nanosheets for accelerated photocatalytic degradation of tetracycline under the visible-light irradiation101Theoretical study of stability and optical absorption properties of ferroelectric materials ZnXO3 (X=Ge, Sn and Pb)2Data-driven computational prediction and experimental realization of exotic perovskite-related polar magnets25Robust Yellow-Violet Pigments Tuned by Site-Selective Manganese Chromophores12The study of electronics, optoelectronics, thermoelectric, and mechanical properties of Zn/CdSnO3 perovskites35Methodological Approach to the High-Pressure Synthesis of Nonmagnetic Li2B4+B′6+O6 Oxides19Theoretical study on the stability, ferroelectricity and photocatalytic properties of CaBiO 33Superior energy storage performances achieved in (Ba, Sr)TiO3-based bulk ceramics through composition design and Core-shell structure engineering51Chemical pressure enlarged camouflage color zone in Mn(IV)-activated yellow-green pigments9Coexisting ferroelectricity and photoconductivity in doped LN-type ZnSnO3 nanospikes9Comparative Study on the Magnetic and Transport Properties of B-Site Ordered and Disordered CaCu 3 Fe 2 Os 2 O 1212Structure Engineered High Piezo‐Photoelectronic Performance for Boosted Sono‐Photodynamic Therapy43Comparison of carrier doping in ZnSnO 3 and ZnTiO 3 from first principles3First-principles study of oxygen vacancies in LiNbO 3 -type ferroelectrics3Microwave-assisted hydrothermal synthesis and gas sensing properties of ZnSn(OH)6, ZnSnO3, and Zn2SnO4/SnO2 hierarchical nano-/hetero-structures12Zn-based oxide perovskite nanocomposites for energy and sensing applications10Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure1Facile synthesis of nano-porous ZnSnO3 cubes for excellent gas sensing properties toward n-butanol7Mechanical and dielectric properties of (ZnSn)1-xMxO (M = Co, Cu) quaternary nanocomposites for promising applications1First-principles calculations of the effect of doping on the ZnGeO 3 of LiNbO 3 -type ferroelectrics0

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  1. First-principles calculations for elastic and electronic properties of ZnSnO3 under pressure

    Physica B Condensed Matter · 2010-12-09

    Ni-Na Ge, Chunmei Liu, Yan Cheng, Xiang-Rong Chen, Guang‐Fu Ji

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  2. Energetic stability, structural transition, and thermodynamic properties of ZnSnO3

    Applied Physics Letters · 2011-02-28

    Huiyang Gou, Jingwu Zhang, Zhiping Li, Gongkai Wang, Faming Gao, Rodney Charles Ewing, Jie Lian

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  3. A Theoretical Study on the Pressure-Induced Phase Transitions in the Inverse Spinel Structure Zn2SnO4

    The Journal of Physical Chemistry C · 2011-03-29

    Lourdes Gracia, Armando Beltrán, Juán Andrés

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  4. Ultrahigh Sensitive Piezotronic Strain Sensors Based on a ZnSnO 3 Nanowire/ Microwire †,‡ Cheng-YingChen, †,^ YanZhang, † Kuan-HsuehChen, ‡ YaYang, † YoufanHu, † Jr-HauHe, ^ and

    Unknown journal · 2012-01-01

    Zhong Lin Wang

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  5. Lead-Free Nanogenerator Made from Single ZnSnO3 Microbelt

    ACS Nano · 2012-04-06

    Jyh Ming Wu, Chen Guang Xu, Yan Zhang, Zhong Lin Wang

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  6. Ultrahigh Sensitive Piezotronic Strain Sensors Based on a ZnSnO 3 Nanowire/Microwire

    ACS Nano · 2012-04-08

    Jyh Ming Wu, Cheng–Ying Chen, Yan Zhang, Kuan-Hsueh Chen, Ya Feng Yang, Youfan Hu, Jr‐Hau He, Zhong Lin Wang

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  7. Electronic, magnetic and dielectric properties of multiferroic MnTiO3

    Journal of materials research/Pratt's guide to venture capital sources · 2012-04-24

    Xiaohui Deng, Wei Ming Lu, Hai Wang, Haitao Huang, Jiyan Dai

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  8. Effect of solid inorganic salts on the formation of cubic-like aggregates of ZnSnO3 nanoparticles in solventless, organic-free reactions and their gas sensing behaviors

    Materials Science and Engineering B · 2012-05-04

    Lingzhen Lu, Aiqin Zhang, Yuanhua Xiao, Feilong Gong, Dianzeng Jia, Feng Li

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  9. Dielectric properties of a polar ZnSnO3 with LiNbO3-type structure

    Journal of Solid State Chemistry · 2012-07-24

    Yoshiyuki Inaguma, Daichi Sakurai, Akihisa Aimi, Masashi Yoshida, Tetsuhiro Katsumata, Daisuke Mori, Jeongho Yeon, P. Shiv Halasyamani

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  10. Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study

    Physical Review B · 2012-07-30

    Xianfeng Hao, Alessandro Stroppa, Silvia Picozzi, Alessio Filippetti, Cesare Franchini

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  11. Flexible and Transparent Nanogenerators Based on a Composite of Lead‐Free ZnSnO3 Triangular‐Belts

    Advanced Materials · 2012-09-03

    Jyh Ming Wu, Chen Xu, Yan Zhang, Ya Feng Yang, Yusheng Zhou, Zhong Lin Wang

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  12. Thermodynamic stability of various phases of zinc tin oxides from ab initio calculations

    Journal of Materials Chemistry C · 2013-01-01

    Joohwi Lee, Seung‐Cheol Lee, Cheol Seong Hwang, Jung‐Hae Choi

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  13. Structural, Electronic, and Ferroelectric Properties of Compressed CdPbO3 Polymorphs

    Inorganic Chemistry · 2013-01-09

    Yuanhui Xu, Xianfeng Hao, Cesare Franchini, Faming Gao

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  14. High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO 3 -Type Polar Titanate ZnTiO 3 and Its Reinforced Polarity by the Second-Order Jahn–Teller Effect

    Journal of the American Chemical Society · 2013-11-26

    Yoshiyuki Inaguma, Akihisa Aimi, Yuichi Shirako, Daichi Sakurai, Daisuke Mori, Hiroshi Kojitani, Masaki Akaogi, Masanobu Nakayama

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  15. Fabrication and Properties of ZnSnO3 piezoelectric Films Deposited by a Pulsed Laser Deposition

    Journal of the Korean Institute of Electrical and Electronic Material Engineers · 2014-01-01

    Byeong-Ju Park, Soon‐Gil Yoon

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  16. Theoretical Ab Initio Calculations in Spinels at High Pressures

    Springer series in materials science · 2014-01-01

    Plácida Rodríguez-Hernández, Alfonso Muñoz

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  17. Controlled synthesis and structure tunability of photocatalytically active mesoporous metal-based stannate nanostructures

    Applied Surface Science · 2014-01-16

    Caihong Liu, Haiyan Chen, Zheng Ren, Sameh I. Dardona, Martin Piech, Haiyong Gao, Pu‐Xian Gao

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  18. Structural and ferroelectric transitions in magnetic nickelate PbNiO3

    New Journal of Physics · 2014-01-30

    Xianfeng Hao, Alessandro Stroppa, Paolo Barone, Alessio Filippetti, Cesare Franchini, Silvia Picozzi

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  19. 2DEGs at Perovskite Interfaces between KTaO3 or KNbO3 and Stannates

    PLoS ONE · 2014-03-13

    Xiaofeng Fan, Weitao Zheng, Xin Chen, David Joseph Singh

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  20. Evidence of Superior Ferroelectricity in Structurally Welded ZnSnO3 Nanowire Arrays

    Small · 2014-06-23

    Anuja Datta, Devajyoti Mukherjee, Corisa Kons, Sarath Witanachchi, Pritish Mukherjee

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  21. Sputtered metal oxide broken gap junctions for tandem solar cells

    Solar Energy Materials and Solar Cells · 2014-10-27

    Forrest Johnson, Sang Ho Song, Joel T. Abrahamson, Richard William Liptak, Eray S. Aydil, Stephen A. Campbell

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  22. Intrinsic anomalous ferroelectricity in vertically aligned LiNbO3-type ZnSnO3 hybrid nanoparticle-nanowire arrays

    Applied Physics Letters · 2014-11-24

    Devajyoti Mukherjee, Anuja Datta, Corisa Kons, Mahesh Hordagoda, Sarath Witanachchi, Pritish Mukherjee

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  23. Covalent effects in magnetic ferroelectrics Mn M O 3 ( M = Ti, Sn)

    physica status solidi (b) · 2014-12-28

    Xianfeng Hao, Yuanhui Xu, Cesare Franchini, Faming Gao

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  24. Transparent conducting properties of SrSnO3 and ZnSnO3

    APL Materials · 2015-04-29

    Khuong P. Ong, Xiaofeng Fan, Alaska Subedi, Michael B. Sullivan, David Joseph Singh

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  25. Introduction to Rational Molecular Modeling Approaches

    Unknown journal · 2015-11-12

    Randy Jalem, Masanobu Nakayama

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  26. Synthesis of ZnSnO3 nanostructure by sol gel method

    AIP conference proceedings · 2016-01-01

    Touseef Ahmad Para, Hilal Ahmad Reshi, Vilas Shelke

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  27. First-principles calculations of structural, elastic, and electronic properties of trigonal ZnSnO3 under pressure

    Materials Chemistry and Physics · 2016-05-30

    Qi‐Jun Liu, Han Qin, Zhen Jiao, Fusheng Liu, Zheng‐Tang Liu

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  28. Enhanced Ferroelectric and Visible‐Light Photoelectric Properties in Multiferroic KBiFe2O5 via Pressure‐Induced Phase Transition

    Advanced Electronic Materials · 2017-02-10

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  29. Ferroelectric and piezoelectric oxide nanostructured films for energy harvesting applications

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  30. Cooperative Couplings between Octahedral Rotations and Ferroelectricity in Perovskites and Related Materials

    Physical Review Letters · 2018-05-10

    Teng Gu, Timothy Scarbrough, Yurong Yang, Jorge Íñiguez, L. Bellaïche, Hongjun Xiang

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  31. Asymmetric covalence bonding between In 5s and O 2p states in ferroelectric InFeO3

    Journal of Physics and Chemistry of Solids · 2018-06-15

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  32. Density Functional Perturbation Theory to Predict Piezoelectric Properties

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  33. Theoretical prediction of piezoelectric property of new LiNbO3-type compound AlTlO3

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  34. Large electrostrictive properties in lead-free BaTiO3–ZnSnO3 solid solutions

    Applied Physics A · 2019-04-06

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  35. Current State of Studies on Synthesis and Application of Zinc Stannate (Review)

    Glass Physics and Chemistry · 2019-07-01

    Светлана Сергеевна Налимова, A. I. Maksimov, L. B. Matyushkin, Вячеслав Алексеевич Мошников

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  36. Growth Mechanism of Seed-Layer Free ZnSnO3 Nanowires: Effect of Physical Parameters

    Nanomaterials · 2019-07-11

    Ana Rovisco, Rita Branquinho, Jorge Martins, Elvira M. C. Fortunato, Rodrigo Martins, Pedro Miguel Cândido Barquinha

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  37. Hydrothermal synthesis of ZnSnO3 nanoparticles decorated on g-C3N4 nanosheets for accelerated photocatalytic degradation of tetracycline under the visible-light irradiation

    Separation and Purification Technology · 2019-07-24

    Xiliu Huang, Feng Guo, Mingyang Li, Hongji Ren, Yu Jun Shi, Li-Zhuang Chen

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  38. Theoretical study of stability and optical absorption properties of ferroelectric materials ZnXO3 (X=Ge, Sn and Pb)

    Physica B Condensed Matter · 2019-10-07

    Xing-Yuan Chen, Yu-Hua Yang, Guo-Xia Lai, Jia Chen, Weiling Zhu, Tianshu Lai, Guoping Luo, Yu‐Jun Zhao, Xiang-Fu Xu

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  39. Data-driven computational prediction and experimental realization of exotic perovskite-related polar magnets

    npj Quantum Materials · 2020-12-09

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  40. Robust Yellow-Violet Pigments Tuned by Site-Selective Manganese Chromophores

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  41. The study of electronics, optoelectronics, thermoelectric, and mechanical properties of Zn/CdSnO3 perovskites

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  42. Methodological Approach to the High-Pressure Synthesis of Nonmagnetic Li2B4+B′6+O6 Oxides

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  43. Theoretical study on the stability, ferroelectricity and photocatalytic properties of CaBiO 3

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  44. Superior energy storage performances achieved in (Ba, Sr)TiO3-based bulk ceramics through composition design and Core-shell structure engineering

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  45. Chemical pressure enlarged camouflage color zone in Mn(IV)-activated yellow-green pigments

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  46. Coexisting ferroelectricity and photoconductivity in doped LN-type ZnSnO3 nanospikes

    Materials Chemistry and Physics · 2022-07-12

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  47. Comparative Study on the Magnetic and Transport Properties of B-Site Ordered and Disordered CaCu 3 Fe 2 Os 2 O 12

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  48. Structure Engineered High Piezo‐Photoelectronic Performance for Boosted Sono‐Photodynamic Therapy

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  49. Comparison of carrier doping in ZnSnO 3 and ZnTiO 3 from first principles

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  50. First-principles study of oxygen vacancies in LiNbO 3 -type ferroelectrics

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