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Theoretical investigation of structural, electronic and optical properties of (BeS)(1) /(BeSe)(1), (BeSe)(1)/(BeTe)(1) and (BeS)(1)/(BeTe)(1) superlattices under pressure
Univ Badji Mokhtar, Fac Sci, Dept Phys, Lab Studies Surface & Interfaces Solid Matter LES, Annaba, Algeria.
Univ Badji Mokhtar, Fac Sci, Dept Phys, Lab Studies Surface & Interfaces Solid Matter LES, Annaba, Algeria.
Univ 8 Mai Guelma, Fac Math Comp & Mat Sci, Phys Lab Guelma, Guelma 24000, Algeria.
Univ Bahrain, Coll Sci, Dept Phys, POB 32038, Zallaq, Bahrain.
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2018 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 713, p. 71-84Article in journal (Refereed) Published
Abstract [en]

The influence of hydrostatic pressure on structural, electronic and optical properties of short period (BeS)(1)/(BeSe)(1), (BeSe)(1)/(BeTe)(1) and (BeS)(1)/(BeTe)1 superlattices, has been investigated. The lattice parameters a and c for the tetragonal unit cell obtained by total energy calculations are in good agreement with the values calculated by macroscopic elasticity theory. The (BeS)(1)/(BeSe)(1) superlattice possesses an indirect band gap while (BeSe)(1)/(BeTe)(1) and (BeS)(1)/(BeTe)(1) superlattices possess a direct band gap. The pressure ranges from 0 to 47 GPa for (BeS)(1)/(BeSe)(1), 0 to 39 GPa for (BeSe)(1)/(BeTe)(1), and 0 to 45 GPa for (BeS)(1)/(BeTe)(1) , meanwhile the pressure dependence of the energy band gap along different symmetry directions obey the equation E-g(p)= E-g+ ap + bp(2). The pressure coefficient of the indirect band gap for (BeS)(1)/(BeSe)(1) is - 22.5675 x 10(-3) eV(GPa)(-1), while that of the direct band gap is estimated as - 25.8581 x 10(-3)eV(GPa)(-1) and - 24.4695 x 10(-3)eV(GPa)(-1) for (BeSe)(1)/(BeTe)(1) and (BeS)(1)/(BeTe)(1), respectively. The variation of the static dielectric constant with pressure is discussed.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2018. Vol. 713, p. 71-84
Keywords [en]
Ab-initio calculations, Superlattices, Electronic properties, Optical properties
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-371115DOI: 10.1016/j.cplett.2018.10.008ISI: 000451062100012OAI: oai:DiVA.org:uu-371115DiVA, id: diva2:1274213
Available from: 2018-12-28 Created: 2018-12-28 Last updated: 2018-12-28Bibliographically approved

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Ahuja, Rajeev

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