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RESEARCH PAPER · Optik · 2018

The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation

Qiaoqiao Zhang, Hahaer Mushahali, Haiming Duan, Ming‐Hsien Lee, Qun Jing

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The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigationOriginalPhysical properties of alkali metals-based iodides via Ab-initio calculations11Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method220Water triggered interfacial synthesis of highly luminescent CsPbX3:Mn2+ quantum dots from nonluminescent quantum dots54Band gaps of the solar perovskites photovoltaic CsXCl3 (X=Sn, Pb or Ge)127Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation1First-principles calculations of mechanical, optoelectronic, and thermal properties of double perovskite K2GeCl/Br6 for solar cell applications18Structural, Electronic, Mechanical, Linear and Nonlinear Optical, and Piezoelectric Properties of CsIO\(_3\) Materials from Ab Initio Study0Microampere-level piezoelectric energy generation in Pb-free inorganic halide thin-film multilayers with Cu interlayers16Ab initio study of structural and optical properties of the halide perovskite KBX3 compound108Contribution of Anisotropic Lattice‐Strain to Piezoelectricity and Electromechanical Power Generation of Flexible Inorganic Halide Thin Films32First-principles investigation of lead-free trigonal CsGeI3-xBrx mixed-halide perovskite system for optoelectronic applications: Electronic and optical properties23Strain-driven tunability of the optical, electronic, and mechanical properties of lead-free inorganic CsGeCl 3 perovskites15Insight into electronic and optical properties of inorganic Ge-based halide perovskites (CsGeI3)1First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X = Cl, Br)121Control of Halogen Atom in Inorganic Metal‐Halide Perovskites Enables Large Piezoelectricity for Electromechanical Energy Generation21Performance optimization of all-inorganic CsGeI3 solar cells: SCAPS simulation and DFT calculation27AB-INITIO study of electronic, mechanical, optical and thermoelectric properties of KGeCl3 for photovoltaic application27First principle studies on structural, electronic, elastic, optical, and thermoelectric properties of XGeCl3 ( X = Rb/Cs ): Promising compounds for green energy application51Theoretical Insights on Pb‐Free Rhombohedral CsGeI3 over Cubic CsMX3 (M‐: Pb, Sn, Ge, and X‐: Cl, Br, I) Perovskite‐Based Single‐Junction Solar Cell with Efficiency >30%15First-principles investigations on the structural, optoelectronic, mechanical and transport properties of new stable lead-free double perovskites Cs2BB′I6 (B = Ag/Rb, B′ = Bi/Ga) halides66First-principles studies of structural, vibrational, elastic, optoelectronic, and thermoelectric properties of doped, alloyed, and strained CsGeCl3 for photovoltaic applications42A density-functional-theory-based study of the lead-free perovskite materials CsGeX3 and CsGeX2X′ (X, X′ = Cl, Br, I) for photovoltaic applications13Origin of Pressure-Induced Nonlinear Optical Property Enhancement in CsGeCl 3 Perovskite: [GeCl 6 ] Octahedron Distortion and Band Gap Closing21Investigation of structural, mechanical, optoelectronic and thermoelectric features of Rb2Na1-xBxScI6 (B = Cu and Ag; x = 0, 0.25), for renewable energy applications4Ab inito calculations of CsGeCl3 orthorhombic halide perovskite crystal for potential solar energy applications0First-principles study of structural, mechanical and optoelectronic properties of trigonal CsGeX3 (X = Cl, Br, I) for photovoltaic application1

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  1. Physical properties of alkali metals-based iodides via Ab-initio calculations

    Journal of Physics and Chemistry of Solids · 2019-04-09

    Qasim Mahmood, Naveed Ahmad Noor, Muhammad Rashid, Bakhtiar Ul Haq, A. Laref, Irfan Qasim

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  2. Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method

    Materials Science in Semiconductor Processing · 2020-02-21

    Qasim Mahmood, Taher Ghrib, Amani Rached, A. Laref, Muhammad Arshad Kamran

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  3. Water triggered interfacial synthesis of highly luminescent CsPbX3:Mn2+ quantum dots from nonluminescent quantum dots

    Nano Research · 2020-09-03

    Jiejun Ren, Xiaopeng Zhou, Yuhua Wang

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  4. Band gaps of the solar perovskites photovoltaic CsXCl3 (X=Sn, Pb or Ge)

    Materials Science in Semiconductor Processing · 2020-10-15

    S. Idrissi, Soumia Ziti, hicham Labrim, L. Bahmad

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  5. Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation

    Journal of Solid State Chemistry · 2021-02-06

    Kui Wang, Qun Jing, Zhenzhen Wan, Ming‐Hsien Lee, Haiming Duan, Haibin Cao, Jun Zhang

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  6. First-principles calculations of mechanical, optoelectronic, and thermal properties of double perovskite K2GeCl/Br6 for solar cell applications

    Journal of Physics and Chemistry of Solids · 2021-07-27

    Awais Ali, Altaf Karim, Muhammad Rashid, Abdulaziz I. Aljameel, Hind Mohammed Albalawi, Manal Morsi, Souhail Mohammed Bouzgarrou, Qasim Mahmood

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  7. Structural, Electronic, Mechanical, Linear and Nonlinear Optical, and Piezoelectric Properties of CsIO\(_3\) Materials from Ab Initio Study

    Journal of Atomic Molecular Condensed Matter and Nano Physics · 2021-10-31

    Soraya Belhadj, Brahim Lagoun, Mohamed B. Taouti, Djamal Benbertal

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  8. Microampere-level piezoelectric energy generation in Pb-free inorganic halide thin-film multilayers with Cu interlayers

    Nano Energy · 2021-11-27

    Da Bin Kim, Kwan Sik Park, Sun Jae Park, Yong Soo Cho

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  9. Ab initio study of structural and optical properties of the halide perovskite KBX3 compound

    Journal of the Korean Ceramic Society · 2022-01-04

    I. Hamideddine, N. Tahiri, Omar El Bounagui, Hamid Ez-zahraouy A

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  10. Contribution of Anisotropic Lattice‐Strain to Piezoelectricity and Electromechanical Power Generation of Flexible Inorganic Halide Thin Films

    Advanced Energy Materials · 2022-02-01

    Da Bin Kim, Kyeong Su Jo, Sung Jun Park, Yong Soo Cho

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  11. First-principles investigation of lead-free trigonal CsGeI3-xBrx mixed-halide perovskite system for optoelectronic applications: Electronic and optical properties

    Materials Science in Semiconductor Processing · 2022-08-11

    Saeed S. I. Almishal, Ola H. Rashwan

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  12. Strain-driven tunability of the optical, electronic, and mechanical properties of lead-free inorganic CsGeCl 3 perovskites

    Physica Scripta · 2022-11-01

    Md. Rasidul Islam, Md. Rayid Hasan Mojumder, A. S. M. Jannatul Islam, Md. Zahangir Alom

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  13. Insight into electronic and optical properties of inorganic Ge-based halide perovskites (CsGeI3)

    Elsevier eBooks · 2023-01-01

    Nguyen Thi Han, Shih‐Yang Lin, Vo Khuong Dien, Chi-Hsuan Lee, Hsin‐Yi Liu, Thi My Duyen Huynh, Ngoc Thanh Thuy Tran, Wei-Bang Li, Ming‐Fa Lin

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  14. First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X = Cl, Br)

    Materials Science and Engineering B · 2023-03-08

    Debidatta Behera, Sanat Kumar Mukherjee

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  15. Control of Halogen Atom in Inorganic Metal‐Halide Perovskites Enables Large Piezoelectricity for Electromechanical Energy Generation

    Small · 2023-05-14

    Asif Abdullah Khan, Md. Masud Rana, Sasa Wang, Md Fahim Al Fattah, Muhammed Kayaharman, Kaiping Zhang, Shawn Benedict, Irene A. Goldthorpe, Y. Zhou, Edward Hartley Sargent, Dayan Ban

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  16. Performance optimization of all-inorganic CsGeI3 solar cells: SCAPS simulation and DFT calculation

    Chemical Physics Letters · 2023-08-30

    Yuxuan Fan, Xiangrui Meng, Xiaojing Liu, Jiang Wu, Yingjie Bai, Yucheng Wang, Hao Wang, Chuman He, Mengcheng Tao, Jiafu Chen

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  17. AB-INITIO study of electronic, mechanical, optical and thermoelectric properties of KGeCl3 for photovoltaic application

    Heliyon · 2023-09-01

    Mohammed ElSaid Sarhani, Tahar Dahame, Mohamed Lamine Belkhir, Bachir Bentria, Anfal Begagra

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  18. First principle studies on structural, electronic, elastic, optical, and thermoelectric properties of XGeCl3 ( X = Rb/Cs ): Promising compounds for green energy application

    International Journal of Quantum Chemistry · 2024-01-04

    Debidatta Behera, M. Boudjelal, Mohamed Batouche, Taieb Seddik, Dj. Hemidi, Sanat Kumar Mukherjee

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  19. Theoretical Insights on Pb‐Free Rhombohedral CsGeI3 over Cubic CsMX3 (M‐: Pb, Sn, Ge, and X‐: Cl, Br, I) Perovskite‐Based Single‐Junction Solar Cell with Efficiency >30%

    physica status solidi (a) · 2024-01-14

    Abhijeet J. Kale, Biswajit Pal, Ambesh Dixit

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  20. First-principles investigations on the structural, optoelectronic, mechanical and transport properties of new stable lead-free double perovskites Cs2BB′I6 (B = Ag/Rb, B′ = Bi/Ga) halides

    Materials Science and Engineering B · 2024-01-19

    Saif M. H. Qaid, Quratul Ain, Hamid M. Ghaithan, Inamul Mursaleen, Abdullah Ahmed Ali Ahmed, Junaid Munir

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  21. First-principles studies of structural, vibrational, elastic, optoelectronic, and thermoelectric properties of doped, alloyed, and strained CsGeCl3 for photovoltaic applications

    Solar Energy · 2024-09-06

    Mihade El Akkel, Smahane Dahbi, Safae Benyoussef, N. Tahiri, Hamid Ez-zahraouy A

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  22. A density-functional-theory-based study of the lead-free perovskite materials CsGeX3 and CsGeX2X′ (X, X′ = Cl, Br, I) for photovoltaic applications

    Journal of Physics D Applied Physics · 2024-09-12

    Pooja Sharma, Prabhat Ranjan, Tanmoy Chakraborty

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  23. Origin of Pressure-Induced Nonlinear Optical Property Enhancement in CsGeCl 3 Perovskite: [GeCl 6 ] Octahedron Distortion and Band Gap Closing

    Journal of the American Chemical Society · 2025-02-12

    Jia Qu, Yiming Wang, Zhongyang Li, Mingtao Li, Tianyao Pei, Nana Li, Dequan Jiang, Bin Yang, Bing Li, Meiyan Ye, Pinwen Zhu, Yonggang Wang, Gang Liu, Xin Wang, Wenge Yang

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  24. Investigation of structural, mechanical, optoelectronic and thermoelectric features of Rb2Na1-xBxScI6 (B = Cu and Ag; x = 0, 0.25), for renewable energy applications

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    Salman Ahmed, Ghalib ul Islam, Mohammad Nasir, Abdul Majid, Manan Ali, Masood Yousaf, Muhammad Farhat Ullah, Amina Salhi, Ilkhom Khaydarov, M. Ijaz Khan

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  25. Ab inito calculations of CsGeCl3 orthorhombic halide perovskite crystal for potential solar energy applications

    Bulletin of Materials Science · 2026-05-28

    Ali Ihsan Kaya, S. Akbudak, Bayram TALİ

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  26. First-principles study of structural, mechanical and optoelectronic properties of trigonal CsGeX3 (X = Cl, Br, I) for photovoltaic application

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