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• W2969889683 endingPage "2667" @default.
• W2969889683 startingPage "2667" @default.
• W2969889683 abstract "We use first-principle calculations based on hybrid functional and the Bethe-Salpeter equation method to investigate the electronic and optical properties of dichalcogenide TlGaTe2. Based on theoretical studies, TlGaTe2 has until recently been considered as an indirect band gap material, however; by employing more accurate hybrid functional model, we showed that although TlGaTe2 has an indirect band gap of 1.109 eV, it also exhibits a fundamental direct band gap of 1.129 eV. Our finding was further confirmed by the optical studies on TlGaTe2, which show that the absorption peak is registered at a photon energy of 1.129 eV. It was also shown that TlGaTe2 has high optical absorption peaks in the visible region. Based on phonon and elastic constant calculations, it was shown that TlGaTe2 is dynamically and mechanically stable. Our findings show that TlGaTe2 is a potential candidate for photovoltaic application." @default.
• W2969889683 created "2019-08-29" @default.
• W2969889683 creator A5011563666 @default.
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• W2969889683 date "2019-08-22" @default.
• W2969889683 modified "2023-10-18" @default.
• W2969889683 title "First-Principle Calculation of High Absorption-TlGaTe2 for Photovoltaic Application" @default.
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• W2969889683 doi "https://doi.org/10.3390/ma12172667" @default.
• W2969889683 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6747581" @default.
• W2969889683 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31443336" @default.
• W2969889683 hasPublicationYear "2019" @default.
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