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RESEARCH PAPER · Physica B Condensed Matter · 2021

Tuning mechanical properties, ferroelectric properties and electronic structure in R3c-MgSnO3 by compressive strain: A first-principle study

Xiang-Fu Xu, Xiong-Lue Cai, Kun-Ren Su, Cha-Sen Li, Weiling Zhu, Guo-Xia Lai, Jia-Jun Tang, Sumei Hu, Xing-Yuan Chen

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Tuning mechanical properties, ferroelectric properties and electronic structure in R3c-MgSnO3 by compressive strain: A first-principle studyOriginalFirst-principles study of R3c-MgSnX3 (X O, S and Se) for photovoltaic and ferroelectric application6Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light5Insights into photocatalytic degradation of phthalate esters over MSnO3 perovskites (M = Mg, Ca): Experiments and density functional theory31Improved Capacitive Performance and Polarization Sustainability of Silver Stannate Nanoparticles: The Role of Carbon Nitride Incorporation5Interrelationship of bonding strength with structural stability of ternary oxide phases of MgSnO3: A first-principles study19Investigation of thermal control in phase-changing ABO 3 perovskites via first-principles predictions: general mechanism of emittance10Tuning ferroelectric photovoltaic performance in R 3 c -CuNbO 3 through compressive strain engineering: a first-principles study4MgSnO3 epitaxial thin films for solar-blind photodetection: Fabrication and properties7Synergistic electron charge density analysis and phonon calculations for the dynamic stability of metallic SrNbO3 perovskite material8Computational Investigation on Cr-Doped Sc2CO2 MXene under Strain for Electronic Properties, Quantum Capacitance, and Photocatalytic Activity9The Perovskites MSnO3 (M = Mg, Ca): Ab Initio Investigation of Structural, Electronic, Thermodynamic, and Thermoelectric Characteristics0Density functional theory study of the structural, electronic, optical, and magnetic properties of the stannate perovskite oxides, ASnO3 (A = alkaline and alkaline-earth elements)3Compositional tuning and property evolution in cubic Mg-based perovskite and anti-perovskite compounds (MgBO 3 and Mg 3 BO; B = Si, Ge, Sn, Pb): a comparative first-principles study for multifunctional device applications8Strain engineering of optoelectronic and ferroelectric properties in R 3-phase Zn 3 TeO 6 : a first-principles study0Structural, optical and photoresponse properties of high-quality MgSnO3 epitaxial films deposited by PLD method0

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  1. First-principles study of R3c-MgSnX3 (X O, S and Se) for photovoltaic and ferroelectric application

    Physics Letters A · 2021-10-25

    Xing-Yuan Chen, Jia-Qi Tan, Kun-Ren Su, Junhua Yang, Xiang-Fu Xu, Guoping Luo, Weiling Zhu, Sumei Hu, Guo-Xia Lai, Hong Ji, Liting Niu

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  2. Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light

    RSC Advances · 2022-01-01

    Xing-Yuan Chen, Shi-Wu Ling, Huakai Xu, You-Da Che, Lifang Chen, Xiang-Fu Xu, Jia-Jun Tang, Jiahui Ye, Hong Ji, Danlin Yan

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  3. Insights into photocatalytic degradation of phthalate esters over MSnO3 perovskites (M = Mg, Ca): Experiments and density functional theory

    Journal of Environmental Management · 2022-01-29

    Quanyun Ye, Chenhui Liu, Pingxiao Wu, Jiayan Wu, Lin Lin, Yihao Li, Zubair Ahmed, Saeed Ur Rehman, Nengwu Zhu

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  4. Improved Capacitive Performance and Polarization Sustainability of Silver Stannate Nanoparticles: The Role of Carbon Nitride Incorporation

    ACS Applied Electronic Materials · 2022-04-05

    Sarit Kumar Ghosh, Venkata K. Perla, Kaushik Mallick

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  5. Interrelationship of bonding strength with structural stability of ternary oxide phases of MgSnO3: A first-principles study

    Physica B Condensed Matter · 2022-04-05

    Bishal B. Dumre, S. V. Khare

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  6. Investigation of thermal control in phase-changing ABO 3 perovskites via first-principles predictions: general mechanism of emittance

    Physical Chemistry Chemical Physics · 2023-01-01

    Liping Tong, Nianao Xu, Hongchao Li, Lan Yang, Zhongyang Wang, Qixin Guo, Tongxiang Fan

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  7. Tuning ferroelectric photovoltaic performance in R 3 c -CuNbO 3 through compressive strain engineering: a first-principles study

    RSC Advances · 2023-01-01

    Zu-Da He, Wen-Ce Li, Jin-Long Yang, Huakai Xu, Xiang-Fu Xu, Guo-Xia Lai, You-Da Che, Weiling Zhu, Xiaodong Yang, Xing-Yuan Chen

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  8. MgSnO3 epitaxial thin films for solar-blind photodetection: Fabrication and properties

    Vacuum · 2024-05-27

    Xinyu Han, Biao Zhang, Hongyan Zhu, Rongrong Chen, Yong Le, Hao Zhou, Y. R. Wang, Caìna Luan, Jishi Cui, Hongdi Xiao

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  9. Synergistic electron charge density analysis and phonon calculations for the dynamic stability of metallic SrNbO3 perovskite material

    Interactions · 2024-08-03

    Patel Maneshwar Rai, Rakesh Kumar, Arun Kumar Singh, Ankita Srivastava, Nitesh K. Chourasia, Ritesh Kumar Chourasia

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  10. Computational Investigation on Cr-Doped Sc2CO2 MXene under Strain for Electronic Properties, Quantum Capacitance, and Photocatalytic Activity

    Langmuir · 2024-08-30

    Rui-Wen Yan, Xiao‐Hong Li, Rui-Zhou Zhang, Hong‐Ling Cui

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  11. The Perovskites MSnO3 (M = Mg, Ca): Ab Initio Investigation of Structural, Electronic, Thermodynamic, and Thermoelectric Characteristics

    Journal of Superconductivity and Novel Magnetism · 2025-04-01

    Y. El-harrar, Rachid Masrour, Mohamed Hamedoun, J. Kharbach, A. Rezzouk, Najib Benzakour, Khalid Bouslykhane

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  12. Density functional theory study of the structural, electronic, optical, and magnetic properties of the stannate perovskite oxides, ASnO3 (A = alkaline and alkaline-earth elements)

    Materials Chemistry and Physics · 2025-05-26

    Mahdi Ehsani Nasab, Saeedeh Sarabadani Tafreshi, Shirzad Jouybar, Leila Naji

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  13. Compositional tuning and property evolution in cubic Mg-based perovskite and anti-perovskite compounds (MgBO 3 and Mg 3 BO; B = Si, Ge, Sn, Pb): a comparative first-principles study for multifunctional device applications

    Materials Advances · 2025-12-01

    M. Bellal Hossain, Mst. Shamima Khanom, Prianka Mondal, Akash Kumer Paul, Farid Ahmed

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  14. Strain engineering of optoelectronic and ferroelectric properties in R 3-phase Zn 3 TeO 6 : a first-principles study

    RSC Advances · 2026-01-01

    Xing-Yuan Chen, Guo-Wei Lai, Tu-Rong Ning, Yanli Hu, Xiao-Dong Yang, Shuang-Rui Chen, Yin Liu, Hua-Kai Xu

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  15. Structural, optical and photoresponse properties of high-quality MgSnO3 epitaxial films deposited by PLD method

    Materials Science in Semiconductor Processing · 2026-02-25

    Y. R. Wang, Hao Zhou, Xinyu Han, Jingtian Duan, Fan Wang, Caìna Luan, Hongdi Xiao

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