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RESEARCH PAPER · Optik · 2018

Electronic band structure and basic optical constants of TlGaSn2Se6, a promising NLO semiconductor: First-principles calculations under DFT framework

Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, Hien Duy Tong, O.V. Parasyuk, Oleg Yu Khyzhun

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Electronic band structure and basic optical constants of TlGaSn2Se6, a promising NLO semiconductor: First-principles calculations under DFT frameworkOriginalElectronic and optical properties of quaternary sulfide Tl2HgSnS4, a promising optoelectronic semiconductor: A combined experimental and theoretical study15A theoretical and experimental study of the valence-band electronic structure and optical constants of quaternary copper mercury tin sulfide, Cu2HgSnS4, a potential material for optoelectronics and solar cells63Electronic and optical properties of wide band gap Tl3TaS4: A promising surface acoustic wave material15DFT study and XPS measurements elucidating the electronic and optical properties of KPb2Cl516TlSbP2Se6 - a new layered single crystal: growth, structure and electronic properties14Layered and Cubic Semiconductors AGaM′Q4 (A+ = K+, Rb+, Cs+, Tl+; M′4+ = Ge4+, Sn4+; Q2– = S2–, Se2–) and High Third-Harmonic Generation29First principles calculation of the structural, electronic, optical and elastic properties of the cubic AlxGa1-xSb ternary alloy28Vast Structural and Polymorphic Varieties of Semiconductors AMM′Q4 (A = K, Rb, Cs, Tl; M = Ga, In; M′ = Ge, Sn; Q = S, Se)10Adjusting the structural, electronic and optical properties of CdS by the introduction of Be: A DFT study17AInSn2S6 (A = K, Rb, Cs)─Layered Semiconductors Based on the SnS2 Structure6Investigation of linear and second-order nonlinear optical properties of donor-acceptor interaction derivatives based on acceptor DCPPr core0First principles insights into the electronic, optical, and thermoelectric properties of Cu2ZnSnS4 for energy conversion applications7

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  1. Electronic and optical properties of quaternary sulfide Tl2HgSnS4, a promising optoelectronic semiconductor: A combined experimental and theoretical study

    Optical Materials · 2019-04-28

    Anatoliy A. Lavrentyev, B.V. Gabrelian, Tuan V. Vu, L.N. Ananchenko, G.L. Myronchuk, O. V. Parasyuk, V.A. Tkach, K.I. Kopylova, Oleg Yu Khyzhun

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  2. A theoretical and experimental study of the valence-band electronic structure and optical constants of quaternary copper mercury tin sulfide, Cu2HgSnS4, a potential material for optoelectronics and solar cells

    Optical Materials · 2019-08-08

    Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, Hien Duy Tong, V.A. Tkach, O.V. Parasyuk, Oleg Yu Khyzhun

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  3. Electronic and optical properties of wide band gap Tl3TaS4: A promising surface acoustic wave material

    Optical Materials · 2019-12-10

    Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, Калмыкова Ксения Федоровна, V.V. Sidorkin, D.M. Hoat, Hien Duy Tong, Duy Phu Tran, Oleg Yu Khyzhun, Dat Duy Vo

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  4. DFT study and XPS measurements elucidating the electronic and optical properties of KPb2Cl5

    Optical Materials · 2020-03-04

    Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, Dat Duy Vo, Khang D. Pham, N.M. Denysyuk, L. I. Isaenko, Alexandra Yu. Tarasova, Oleg Yu Khyzhun

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  5. TlSbP2Se6 - a new layered single crystal: growth, structure and electronic properties

    Journal of Alloys and Compounds · 2020-07-29

    Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, V.I. Sabov, M. Yu. Sabov, Artem I. Pogodin, I. E. Barchiy, A.O. Fedorchuk, Agnieszka Balińska, Z. Baķ, Oleg Yu Khyzhun, Michał Piasecki

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  6. Layered and Cubic Semiconductors AGaM′Q4 (A+ = K+, Rb+, Cs+, Tl+; M′4+ = Ge4+, Sn4+; Q2– = S2–, Se2–) and High Third-Harmonic Generation

    Journal of the American Chemical Society · 2020-09-15

    Daniel Friedrich, Hye Ryung Byun, Shiqiang Hao, Shane Patel, Chris M. Wolverton, Joon Ik Jang, Mercouri G. Kanatzidis

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  7. First principles calculation of the structural, electronic, optical and elastic properties of the cubic AlxGa1-xSb ternary alloy

    Optical Materials · 2021-02-01

    Rabah Moussa, A. Abdiche, R. Khenata, F. Soyalp

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  8. Vast Structural and Polymorphic Varieties of Semiconductors AMM′Q4 (A = K, Rb, Cs, Tl; M = Ga, In; M′ = Ge, Sn; Q = S, Se)

    Chemistry of Materials · 2021-08-05

    Daniel Friedrich, Shiqiang Hao, Shane Patel, Chris M. Wolverton, Mercouri G. Kanatzidis

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  9. Adjusting the structural, electronic and optical properties of CdS by the introduction of Be: A DFT study

    Materials Today Communications · 2022-03-15

    Cheng-Zheng Sun, Chengshu Zhang, Bo Zhang

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  10. AInSn2S6 (A = K, Rb, Cs)─Layered Semiconductors Based on the SnS2 Structure

    Inorganic Chemistry · 2022-08-12

    Daniel Friedrich, Michael A. Quintero, Shiqiang Hao, Craig C. Laing, Christopher Wolverton, Mercouri G. Kanatzidis

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  11. Investigation of linear and second-order nonlinear optical properties of donor-acceptor interaction derivatives based on acceptor DCPPr core

    Journal of Molecular Structure · 2023-02-21

    Cheng Ma, Lijing Gong, Xiangyu Zhang, Hongmei Liu

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  12. First principles insights into the electronic, optical, and thermoelectric properties of Cu2ZnSnS4 for energy conversion applications

    Results in Physics · 2025-12-14

    Zahid Ullah, Rajwali Khan, Muhammad Amir Khan, Sattam Al Otaibi, Khaled Althubeiti, Mukhlisa Soliyeva, Noureddine Ali Elboughdiri, Fazal Raziq

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