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Pressure-induced band anticrossing in two adamantine ordered-vacancy compounds: CdGa2S4 and HgGa2S4

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dc.contributor.author LIANG, A.
dc.contributor.author SHI, L. T.
dc.contributor.author GALLEGO-PARRA, S.
dc.contributor.author GOMIS, O.
dc.contributor.author ERRANDONEA, D.
dc.contributor.author TIGINYANU, I. M.
dc.contributor.author URSAKI, V. V.
dc.contributor.author MANJÓN, F. J.
dc.date.accessioned 2022-04-08T12:08:33Z
dc.date.available 2022-04-08T12:08:33Z
dc.date.issued 2021
dc.identifier.citation LIANG, A., SHI, L. T., GALLEGO-PARRA, S. et al. Pressure-induced band anticrossing in two adamantine ordered-vacancy compounds: CdGa2S4 and HgGa2S4. In: Journal of Alloys and Compounds, 2021, V. 886, pp. 161226. ISSN 0925-8388. en_US
dc.identifier.issn 0925-8388
dc.identifier.uri https://doi.org/10.1016/j.jallcom.2021.161226
dc.identifier.uri http://repository.utm.md/handle/5014/20047
dc.description Access full text - https://doi.org/10.1016/j.jallcom.2021.161226 en_US
dc.description.abstract This paper reports a joint experimental and theoretical study of the electronic band structure of two ordered-vacancy compounds with defect-chalcopyrite structure: CdGa2S4 and HgGa2S4. High-pressure optical-absorption experiments (up to around 17 GPa) combined with first-principles electronic band-structure calculations provide compelling evidence of strong nonlinear pressure dependence of the bandgap in both compounds. The nonlinear pressure dependence is well accounted for by the band anticrossing model that was previously established mostly for selenides with defect chalcopyrite structure. Therefore, our results on two sulfides with defect chalcopyrite structure under compression provide definitive evidence that the nonlinear pressure dependence of the direct bandgap is a common feature of adamantine ordered-vacancy compounds and does not depend on the type of anion. en_US
dc.language.iso en en_US
dc.publisher Elsevier en_US
dc.rights Attribution-NonCommercial-NoDerivs 3.0 United States *
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/us/ *
dc.subject vacancy compounds en_US
dc.subject chalcopyrite structure en_US
dc.subject bandgap en_US
dc.subject band anticrossing en_US
dc.subject optical absorption experiments en_US
dc.title Pressure-induced band anticrossing in two adamantine ordered-vacancy compounds: CdGa2S4 and HgGa2S4 en_US
dc.type Article en_US


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