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RESEARCH PAPER · Journal of Solid State Chemistry · 2022

Ab initio investigation of the structural and electronic properties of tantalum thallium chalcogenides TaTlX3 (X = S,Se)

C.P. Sujith, Saji Joseph, Thomas Mathew, Vincent Mathew

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Ab initio investigation of the structural and electronic properties of tantalum thallium chalcogenides TaTlX3 (X = S,Se)OriginalFirst-principles calculations on structural, electronic, elastic, optical and thermoelectric properties of thallium based chloroperovskites TlMCl3 (M = Zn and Cd)46Large birefringence in the quasi-one-dimensional material Sb2Se3: A DFT investigation of electronic and optical anisotropy19Large optical anisotropy in quasi-one-dimensional tantalum thallium chalcogenides TaTlX3 (X = S, Se): A first-principles investigation3A first principles characterization of electronic and optical anisotropy of quasi-one-dimensional transition metal lead sulfides PbMS3 (M = Hf, Zr)3Study of the Effect of Gallium Replacement by Thallium in CuGa(1-x)TlxS2 Structure by First-Principles Calculations on CASTEP0Computational study of the structural, optoelectronic and thermoelectric properties of scandium-based ternary chalcogenides XScSe2 (X = Li, Rb) for applications in photovoltaic cell24Magnetic and thermoelectric properties of quasi-one-dimensional BaVSe30Ab initio Investigation of quasi-one-dimensional ternary chalcogenides Sr2ZnX3 (X = S, Se, Te) for efficient photovoltaic and thermoelectric applications6

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  1. First-principles calculations on structural, electronic, elastic, optical and thermoelectric properties of thallium based chloroperovskites TlMCl3 (M = Zn and Cd)

    Computational Condensed Matter · 2022-10-12

    Soukaina Bouhmaidi, Abdelouahid Azouaoui, Najib Benzakour, Ahmed Hourmatallah, Larbi Setti

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  2. Large birefringence in the quasi-one-dimensional material Sb2Se3: A DFT investigation of electronic and optical anisotropy

    Journal of Physics and Chemistry of Solids · 2022-12-05

    C.P. Sujith, Saji Joseph, A.K. Sneha, Thomas Mathew, Vincent Mathew

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  3. Large optical anisotropy in quasi-one-dimensional tantalum thallium chalcogenides TaTlX3 (X = S, Se): A first-principles investigation

    Materials Chemistry and Physics · 2023-04-17

    C.P. Sujith, Saji Joseph, Thomas Mathew, Thomas Mathew, Vincent Mathew

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  4. A first principles characterization of electronic and optical anisotropy of quasi-one-dimensional transition metal lead sulfides PbMS3 (M = Hf, Zr)

    Physica B Condensed Matter · 2023-09-06

    C.P. Sujith, Saji Joseph, A.K. Sneha, Thomas Mathew, Vincent Mathew

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  5. Study of the Effect of Gallium Replacement by Thallium in CuGa(1-x)TlxS2 Structure by First-Principles Calculations on CASTEP

    International Journal of Materials Science and Applications · 2023-10-14

    Sangare Kassoum, Sékou Diomandé, Affoué Lucie Bédé

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  6. Computational study of the structural, optoelectronic and thermoelectric properties of scandium-based ternary chalcogenides XScSe2 (X = Li, Rb) for applications in photovoltaic cell

    Journal of Computational Electronics · 2023-11-23

    Rabail Fatima, R.M. Arif Khalil, Muhammad Iqbal Hussain, Fayyaz Hussain

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  7. Magnetic and thermoelectric properties of quasi-one-dimensional BaVSe3

    Journal of Magnetism and Magnetic Materials · 2024-05-01

    Chinnu V. Devan, Manoj Raama Varma, Biswapriya Deb

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  8. Ab initio Investigation of quasi-one-dimensional ternary chalcogenides Sr2ZnX3 (X = S, Se, Te) for efficient photovoltaic and thermoelectric applications

    Journal of Physics and Chemistry of Solids · 2024-07-29

    V. Chethan, Madegowda Mahendra

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