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RESEARCH PAPER · Journal of Solid State Chemistry · 2013

Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2–II–IV–VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se)

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Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2–II–IV–VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se)OriginalChemInform Abstract: Synthesis, Structure, and Optical Properties of the Quaternary Diamond‐Like Compounds I2—II—IV—VI4 (I: Cu; II: Mg; IV: Si, Ge; VI: S, Se).1Design of I2–II–IV–VI4 Semiconductors through Element Substitution: The Thermodynamic Stability Limit and Chemical Trend149Cu2ZnSnS4, Cu2ZnSnSe4, and Related Materials2First-principles calculation of structural, electronic, and optical properties of wurtzite–stannite Cu2MgSi(S Se1−)4 alloys3Cation-Mutation Design of Quaternary Nitride Semiconductors Lattice-Matched to GaN26Trigonal Cu 2 -II-Sn-VI 4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics127Induced effects by the substitution of Zn in Cu2ZnSnX4 (X= S and Se)58Structural, morphological and electrical properties of Cu2ZnSn1-xSixS4 (x = 0.8, x = 1) for solar-cells applications4First principles study of structural, optoelectronic and thermoelectric properties of Cu2CdSnX4 (X = S, Se, Te) chalcogenides36Structural, elastic, electronic and optical properties of the novel quaternary diamond-like semiconductors Cu2MgSiS4 and Cu2MgGeS433Fabrication of Cu 2 (Zn x Mg 1-x )SnS 4 thin films by pulsed laser deposition technique for solar cell applications41Cu2ZnSn(S,Se)4 from annealing of compound co-sputtered precursors – Recent results and open questions21Substitution of Zn in Earth‐Abundant Cu2ZnSn(S,Se)4 based thin film solar cells – A status review121Cu2EuMQ4 (M = Si, Ge; Q = S, Se): Syntheses, structure study and physical properties determination26Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations54Ab Initio Study of the Relative Stability and Opto-Electronics Properties of the Cu2MgSiS4 Compound0First-principle simulations of XIn2S4 (X = Zn, Cd) thiospinels for energy harvesting devices16Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe462Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior44Crystal structure of mechanochemically synthesized Ag2CdSnS420Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)34Syntheses and crystal structures of the quaternary thiogermanates Cu4FeGe2S7and Cu4CoGe2S74Analysis of optoelectronic and trasnport properties of magnesium based MgSc2X4 (X=S, Se) spinels for solar cell and energy storage device applications70Density functional theory study of electronic, optical and transport properties of magnesium based MgY2Z4 (Z = S and Se) spinels39Na2MgSnS4 – a new member of the A 2 I B II C IV X 4 family of compounds6Na2MgSnS4 – a new member of the A(2)(I)B(II)C(IV)X(4) family of compounds0Probing of Optoelectronic and Transport Properties of Zinc Based ZnY 2 X 4 (X = S, Se) Spinels for Renewable Energy34Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations34Optoelectronic properties of solar cell materials based on copper-zinc-tin-sulfide Cu2ZnSn(SxTe1-x)4 alloys for photovoltaic device applications11Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)12First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals60Li2Mg2Si2S6 and Li2Mg2Ge2S6: Two nonlinear optical sulfides featuring a unique, polar trigonal structure incorporating ethane‐like anions5Ag4SnGe2S7: A Noncentrosymmetric Chalcogenide in I4–II–IV2–VI7 System with Non-Diamond-Like Structure Featuring 1D ∞[SnGe2S8]6– Infinite Chain2First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications30An overview of Mg-based IR nonlinear optical materials23Mechanochemical Synthesis and Structure of the Alkali Metal Magnesium Chalcogenide Na6MgS46BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Study of the thermal decomposition of Cu2ZnSnS4 (CZTS) in different atmospheres: effect of annealing on its structural and optical properties3Insight into the electronic, optical, and transport properties of novel BaLaCuX3 (X = S, Se, and Te) quaternary chalcogenides17First-Principles Calculations on Novel Rb-Based Halide Double Perovskites Alloys for Spintronics and Optoelectronic Applications22First-principles study of the electronic structure, optical, thermodynamic, and thermoelectric nature in MgACu3Se4 (A = Sc, Y) semiconductors22Investigations on the electronic, optical, thermoelectric and thermodynamic properties of quaternary coinage metal HgSeBr: a DFT study4Ecofriendly and low-cost high-entropy sulfides with high thermal stability and ZT > 1 via entropy engineering and anion compensation15First-principles calculations to investigate structural, electronic, elastic, and optical properties of orthorhombic LiBH2 for hydrogen storage and optoelectronic devices16A computational study of novel CsYMSe3 (M = Cd, Zn) materials: for their potential optoelectronic and thermoelectric application2Evaluating hydrogen storage potential of Cs2ABH6: DFT-based approach17Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals15Enhanced antibonding coupling enables optical transparency in p-type semiconductors by orbital engineering0

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  1. ChemInform Abstract: Synthesis, Structure, and Optical Properties of the Quaternary Diamond‐Like Compounds I2—II—IV—VI4 (I: Cu; II: Mg; IV: Si, Ge; VI: S, Se).

    ChemInform · 2013-08-22

    Bin‐Wen Liu, Ming‐Jian Zhang, Zhong‐Yan Zhao, Hui‐Yi Zeng, Fa‐Kun Zheng, Guo‐Cong Guo, Jin‐Shun Huang

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  2. Design of I2–II–IV–VI4 Semiconductors through Element Substitution: The Thermodynamic Stability Limit and Chemical Trend

    Chemistry of Materials · 2014-05-15

    Congcong Wang, Shiyou Chen, Ji‐Hui Yang, Lang Li, Hongjun Xiang, Xin-Gao Gong, Aron Walsh, Su‐Huai Wei

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  3. Cu2ZnSnS4, Cu2ZnSnSe4, and Related Materials

    Springer series in materials science · 2015-09-16

    Shiyou Chen

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  4. First-principles calculation of structural, electronic, and optical properties of wurtzite–stannite Cu2MgSi(S Se1−)4 alloys

    Computational and Theoretical Chemistry · 2015-10-30

    Dan Li, Furi Ling

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  5. Cation-Mutation Design of Quaternary Nitride Semiconductors Lattice-Matched to GaN

    Chemistry of Materials · 2015-11-02

    Zenghua Cai, Prineha Narang, Harry Albert Atwater, Shiyou Chen, Chun‐Gang Duan, Zi-Qiang Zhu, Junhao Chu

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  6. Trigonal Cu 2 -II-Sn-VI 4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics

    Physical Chemistry Chemical Physics · 2016-01-01

    Feng Hong, Wenjun Lin, Weiwei Meng, Yanfa Yan

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  7. Induced effects by the substitution of Zn in Cu2ZnSnX4 (X= S and Se)

    Thin Solid Films · 2016-02-09

    Guohua Zhong, Kinfai Tse, Yiou Zhang, Xiaoguang Li, Li Huang, Chunlei Yang, Junyi Zhu, Zhi Zeng, Zhenyu Zhang, Xudong Xiao

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  8. Structural, morphological and electrical properties of Cu2ZnSn1-xSixS4 (x = 0.8, x = 1) for solar-cells applications

    Journal of Alloys and Compounds · 2016-03-02

    Mohamed Hamdi, Abderrazek Oueslati, A. Lafond, Catherine Guillot‐Deudon, F. Hlel

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  9. First principles study of structural, optoelectronic and thermoelectric properties of Cu2CdSnX4 (X = S, Se, Te) chalcogenides

    Materials Research Bulletin · 2016-03-09

    Sajjad Hussain, Ghulam Murtaza, Shah Haidar Khan, Afzal Khan, Malak Azmat Ali, Muhammad Faizan, Asif Mahmood, R. Khenata

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  10. Structural, elastic, electronic and optical properties of the novel quaternary diamond-like semiconductors Cu2MgSiS4 and Cu2MgGeS4

    Solid State Sciences · 2017-06-14

    Abdelhak Bedjaoui, Abdelmadjid Bouhemadou, S. Aloumi, R. Khenata, Saad Bin-Omran, Yarub Al-Douri, Fatma Saad Saoud, S. Bensalem

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  11. Fabrication of Cu 2 (Zn x Mg 1-x )SnS 4 thin films by pulsed laser deposition technique for solar cell applications

    Materials Science in Semiconductor Processing · 2018-01-04

    Ganesh L. Agawane, Sharadrao Anandrao Vanalakar, A.S. Kamble, Annasaheb Vitthal Moholkar, Jin Hyeok Kim

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  12. Cu2ZnSn(S,Se)4 from annealing of compound co-sputtered precursors – Recent results and open questions

    Solar Energy · 2018-04-23

    Sven Englund, Nishant Saini, Charlotte Platzer‐Björkman

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  13. Substitution of Zn in Earth‐Abundant Cu2ZnSn(S,Se)4 based thin film solar cells – A status review

    Solar Energy Materials and Solar Cells · 2018-06-21

    M. Suresh Kumar, Sreejith P. Madhusudanan, Sudip Kumar Batabyal

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  14. Cu2EuMQ4 (M = Si, Ge; Q = S, Se): Syntheses, structure study and physical properties determination

    Journal of Solid State Chemistry · 2018-09-25

    Zongdong Sun, Yang Chi, Sheng‐Ping Guo

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  15. Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations

    Journal of Molecular Graphics and Modelling · 2019-01-21

    Qasim Mahmood, Muhammad Rashid, Qurat-ul-Ain Qurat-ul-Ain, Naveed Ahmad Noor, Muhammad Gul Bahar Ashiq, Shahid Mahmood Ramay, Asif Mahmood

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  16. Ab Initio Study of the Relative Stability and Opto-Electronics Properties of the Cu2MgSiS4 Compound

    Acta Physica Polonica A · 2019-03-01

    Saliha Ould Said, Kadda Amara, Belmorsli Bekki, B. Soudini

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  17. First-principle simulations of XIn2S4 (X = Zn, Cd) thiospinels for energy harvesting devices

    Chemical Physics Letters · 2019-03-15

    Farzana Majid, Sadia Ata, H. Moin ul Attique, Adnan Ali, Bakhtiar Ul Haq, A. Laref

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  18. Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4

    Journal of Superconductivity and Novel Magnetism · 2019-10-29

    Loubna Salik, Abdelmadjid Bouhemadou, Kaouthar Boudiaf, Fatma Saad Saoud, Saad Bin-Omran, R. Khenata, Yarub Al-Douri, A.H. Reshak

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  19. Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior

    Chemistry of Materials · 2020-01-21

    Ya Feng Yang, Kui Wu, Bingbing Zhang, Xiaowen Wu, Ming‐Hsien Lee

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  20. Crystal structure of mechanochemically synthesized Ag2CdSnS4

    Zeitschrift für Naturforschung B · 2020-03-17

    Eva M. Heppke, Stefan Berendts, Martin Lerch

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  21. Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)

    Journal of Alloys and Compounds · 2020-06-10

    S. Alnujaim, Abdelmadjid Bouhemadou, Abdelhak Bedjaoui, Saad Bin-Omran, Yarub Al-Douri, R. Khenata, Said Maabed

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  22. Syntheses and crystal structures of the quaternary thiogermanates Cu4FeGe2S7and Cu4CoGe2S7

    Acta Crystallographica Section E Crystallographic Communications · 2020-06-19

    Andrew J. Craig, Stanislav S. Stoyko, Allyson Bonnoni, Jennifer A. Aitken

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  23. Analysis of optoelectronic and trasnport properties of magnesium based MgSc2X4 (X=S, Se) spinels for solar cell and energy storage device applications

    Ceramics International · 2020-07-15

    Wasim Tahir, Ghulam Mustafa, Naveed Ahmad Noor, Syed Muhammad Alay-e-Abbas, Qasim Mahmood, A. Laref

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  24. Density functional theory study of electronic, optical and transport properties of magnesium based MgY2Z4 (Z = S and Se) spinels

    Current Applied Physics · 2020-08-01

    Maiza Zanib, Naveed Ahmad Noor, Muhammad Azhar Iqbal, I. Mahmood, Asif Mahmood, Shahid Mahmood Ramay, Najib Y.A. Al-Garadi, Tariq Uzzaman

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  25. Na2MgSnS4 – a new member of the A 2 I B II C IV X 4 family of compounds

    Zeitschrift für Naturforschung B · 2020-08-01

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  26. Na2MgSnS4 – a new member of the A(2)(I)B(II)C(IV)X(4) family of compounds

    DepositOnce · 2020-08-03

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  27. Probing of Optoelectronic and Transport Properties of Zinc Based ZnY 2 X 4 (X = S, Se) Spinels for Renewable Energy

    ECS Journal of Solid State Science and Technology · 2020-09-24

    Thamraa M. Alshahrani, Ghulam Mustafa, Tahani H. Flemban, Hind Althib, Samah Al‐Qaisi, Nessrin Awadhallah Kattan, Qasim Mahmood

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  28. Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations

    Scientific Reports · 2021-05-10

    Sahib Hasan, Khagendra Baral, Neng Li, W. Y. Ching

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  29. Optoelectronic properties of solar cell materials based on copper-zinc-tin-sulfide Cu2ZnSn(SxTe1-x)4 alloys for photovoltaic device applications

    Solar Energy · 2021-08-06

    Z. Hussein, A. Laref, Hadi Rasam AlQahtani, Eman A. Alghamdi, Mohammed El Amine Monir, Naveed Ahmad Noor, Hai Ming Huang, Yong‐Chen Xiong, Jun Yang, H.A. Yakout

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  30. Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)

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    Hongbo Gao, Kewang Zhang, Ailijiang Abudurusuli, Chen Bai, Zhihua Yang, Kangrong Lai, Junjie Li, Shilie Pan

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  31. First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals

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  32. Li2Mg2Si2S6 and Li2Mg2Ge2S6: Two nonlinear optical sulfides featuring a unique, polar trigonal structure incorporating ethane‐like anions

    Zeitschrift für anorganische und allgemeine Chemie · 2022-05-31

    Ari T. Barton, Mingli Liang, Andrew J. Craig, Weiguo Zhang, Stanislav S. Stoyko, Anne N. Radzanowski, Delenn Fingerlow, P. Shiv Halasyamani, Joseph H. MacNeil, Jennifer A. Aitken

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  33. Ag4SnGe2S7: A Noncentrosymmetric Chalcogenide in I4–II–IV2–VI7 System with Non-Diamond-Like Structure Featuring 1D ∞[SnGe2S8]6– Infinite Chain

    Inorganic Chemistry · 2022-09-20

    Peng Wang, Maierhaba Abudoureheman, Kewang Zhang, Juanjuan Zheng, Zhaohui Chen, Qi Wu

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  34. First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications

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  35. An overview of Mg-based IR nonlinear optical materials

    Inorganic Chemistry Frontiers · 2023-01-01

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  36. Mechanochemical Synthesis and Structure of the Alkali Metal Magnesium Chalcogenide Na6MgS4

    Inorganic Chemistry · 2023-06-20

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  37. BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure

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  38. Study of the thermal decomposition of Cu2ZnSnS4 (CZTS) in different atmospheres: effect of annealing on its structural and optical properties

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  39. Insight into the electronic, optical, and transport properties of novel BaLaCuX3 (X = S, Se, and Te) quaternary chalcogenides

    Journal of Solid State Chemistry · 2023-12-10

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  40. First-Principles Calculations on Novel Rb-Based Halide Double Perovskites Alloys for Spintronics and Optoelectronic Applications

    Optics and Photonics Journal · 2024-01-01

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  41. First-principles study of the electronic structure, optical, thermodynamic, and thermoelectric nature in MgACu3Se4 (A = Sc, Y) semiconductors

    Optical and Quantum Electronics · 2024-02-01

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  42. Investigations on the electronic, optical, thermoelectric and thermodynamic properties of quaternary coinage metal HgSeBr: a DFT study

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  43. Ecofriendly and low-cost high-entropy sulfides with high thermal stability and ZT > 1 via entropy engineering and anion compensation

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  44. First-principles calculations to investigate structural, electronic, elastic, and optical properties of orthorhombic LiBH2 for hydrogen storage and optoelectronic devices

    Indian Journal of Physics · 2024-11-16

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  45. A computational study of novel CsYMSe3 (M = Cd, Zn) materials: for their potential optoelectronic and thermoelectric application

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  46. Evaluating hydrogen storage potential of Cs2ABH6: DFT-based approach

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  47. Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals

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  48. Enhanced antibonding coupling enables optical transparency in p-type semiconductors by orbital engineering

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