Calculation of structural, optical and electronic properties of ZnS, ZnSe, MgS, MgSe and their quaternary alloy Mg1−xZnxSySe1−y

Rabah, M.; Abbar, B.; Al‐Douri, Y.; Bouhafs, B.; Sahraoui, B.

doi:10.1016/s0921-5107(03)00093-x

Cited by 85 publications

(21 citation statements)

References 16 publications

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“…These include methods based on the dielectric two-band model [6], semi-empirical tight-binding method [7,8] semi-empirical pseudo-potential method [9,10], ab initio pseudo-potential method [11][12][13][14][15][16][17][18][19][20][21][22] and full potential linearized augmented plane wave (FP-LAPW) method [23,24]. To our knowledge, there is no theoretical investigation of B x In 1−x N alloy.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of Cubic B_xIn_1-xN Ternary Alloys

Abdiche¹,

Abid²,

Riane³

et al. 2010

Acta Phys. Pol. A

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We present first principles calculations of the structural and electronic properties of zinc blende BN, InN and their ternary alloy B x In 1−x N for concentrations x = 0.25, 0.5, 0.75. The computational method used is based on the full potential linearized augmented plane wave. The exchange and correlation energy is described in the local density approximation and generalized gradient approximation. We have studied the structural and electronic properties. First, the lattice constants a 0 , bulk modulus B, pressure derivative B for zinc blende BN, InN, and B x In 1−x N solid solutions were carried out. Thereafter, the band gap energies and the densities of states of binary compounds and the ternary alloy B x In 1−x N were investigated. Results obtained and compared with available experimental and theoretical values show a reasonable agreement.

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Section: Introductionmentioning

confidence: 99%

First-Principles Study of Cubic B_xIn_1-xN Ternary Alloys

Abdiche¹,

Abid²,

Riane³

et al. 2010

Acta Phys. Pol. A

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“…Here, C ZnMgS = 0.0698 eV [21]. Lawaetz's parameter set is used to evaluate the anisotropic effective masses of the heavy-and light-holes [20].…”

Section: Resultsmentioning

confidence: 99%

Effect of Dielectric Mismatch on Exciton Binding Energy in ZnS/MgxZn1-xS Quantum Wells

Onodera¹,

Yoshida

2010

e-J. Surf. Sci. Nanotechnol.

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We calculate the binding energies of heavy-and light-hole excitons in ZnS/MgxZn1−xS single quantum wells (SQWs) as functions of the well width by using a variational method. We take into account the effect of the mismatch between the dielectric constants of the well and the barriers (dielectric mismatch effect) in our calculation. The increases in the heavy-and light-hole exciton binding energies in ZnS/MgxZn1−xS SQWs for a Mg content (x) of 1.0 are 58.9 meV and 60.2 meV, respectively. In the case of narrow wells, the heavy-and light-hole exciton binding energies calculated by considering the dielectric mismatch effect exceed the longitudinal optical phonon energy of ZnS when x ≥ 0.3.

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“…The empirical pseudopotential method was used by Chelikowsky et al [14] to study the valence band density of states (DOS) of zincblende semiconductors and diamond. The structural and electronic properties of the binary semiconductor compounds including ZnSe were investigated by Rabah et al [15] using FP-LAPW within the local spin density approximation. The electronic properties of ZnX (X = S, Se, Te) were reported by Khenata et al [16] using the full-potential linear augmented plane-wave method plus local orbitals.…”

Section: Introductionmentioning

confidence: 99%