Superlattices and Microstructures volume 44, issue 1, P112-120 2008 DOI: 10.1016/j.spmi.2008.02.011 View full text
A. Berghout, A. Zaoui, J. Hugel

Abstract: The pressure dependence of the elastic constants associated with the fundamental band gap of beryllium chalcogenides has been studied by the state-of-the-art of Density Functional Theory. The resulting values of C i j were found to be strongly dependent on pressure. The fundamental band gap transition which occurs between Γ and X directions was found to shift linearly towards lower energy with increasing pressure, and yields a linear pressure coefficient of −22.7 (−25.85, −35.4) meV/GPa for BeS (BeSe, BeTe). …

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