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

JOURNAL OF ALLOYS AND COMPOUNDS

卷:886

Article

Liang, A.¹  Shi, L. T.^2,3  Gallego-Parra, S.⁴  Gomis, O.⁵  Errandonea, D.¹  Tiginyanu, I. M.⁶  Ursaki, V. V.⁶  Manjon, F. J.⁴ 

[1] Univ Valencia, ICMUV MALTA Consolider Team, Dept Fis Aplicada, C Dr Moliner 50, Valencia 46100, Spain

[2] Sichuan Univ, Coll Phys, Chengdu 610065, Peoples R China

[3] China Acad Engn Phys, Inst Fluid Phys, Mianyang 621900, Sichuan, Peoples R China

[4] Univ Politecn Valencia, Inst Diseno Fabricat & Prod Automatizada, MALTA Consolider Team, Cami Vera S-N, Valencia 46022, Spain

[5] Univ Politecn Valencia, Ctr Tecnol Fis, MALTA Consolider Team, Cami Vera S-N, Valencia 46022, Spain

[6] Tech Univ Moldova, Natl Ctr Mat Study & Testing, MD-2004 Kishinev, Moldova

关键词: High pressure;    Bandgap;    Ordered-vacancy compounds;    Band anticrossing;    Optical absorption experiment;    First-principles calculations;   

DOI  :  10.1016/j.jallcom.2021.161226

来源: Elsevier

【 摘 要 】

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. (C) 2021 The Authors. Published by Elsevier B.V.

【 授权许可】

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