Ab-initio study of the structural, linear and nonlinear optical properties of CdAl2Se4 defect-chalcopyrite

Ouahrani, Tarik; Reshak, A.H.; Khenata, R.; Amrani, B.; Mebrouki, M.; Otero-de-la-Roza, Alberto; Luaña, Vı́ctor

doi:10.1016/j.jssc.2009.09.034

Cited by 42 publications

(16 citation statements)

References 25 publications

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“…[44][45][46][47][48]. Recent development in the ability of computational power and advancement in modelling, using first-principle calculations within density functional theory (DFT), has made predictions of various linear and nonlinear properties of InAlP 2 and InGaP 2 [49] chalcopyrites, CdAl 2 Se 4 [50] defect chalcopyrite, AgCd 2-GaS 4 [51,52] non-centrosymmetric orthorhombic, ZnGeAs 2 [53] pnictides and other materials more accurately [54][55][56][57][58].…”

Section: Introductionmentioning

confidence: 99%

Linear properties of ternary chalcopyrite semiconductors

2014

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Linear properties of ternary chalcopyrite semiconductors have been studied. New relations based on plasma oscillations theory of solids have been proposed for calculation of homopolar, heteropolar and average energy gaps, dielectric constant and ionicity of A-C and B-C bonds in A I B III C 2 VI and A II B IV C 2 V groups of semiconductors. The values of these parameters for 13 new chalcopyrites of A II B IV C 2 V family have been calculated. The calculated values are compared with the available reported values and a fairly good agreement has been obtained.

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Section: Introductionmentioning

confidence: 99%

Linear properties of ternary chalcopyrite semiconductors

2014

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“…Defect chalcopyrite compounds with the chemical formula A II B III 2 C IV 4 contain a crystallographically ordered array of vacancies (stoichiometric voids or vacancies) in the cation sublattice [1,2]. The low packing efficiency of constituent atoms in lattice facilitates the doping of these compounds by impurities [1,3].…”

Section: Introductionmentioning

confidence: 99%

“…The low packing efficiency of constituent atoms in lattice facilitates the doping of these compounds by impurities [1,3]. These ordered vacancy compounds form a bridge between impurity physics and crystal physics [4].…”

Section: Introductionmentioning

confidence: 99%

“…These ordered vacancy compounds form a bridge between impurity physics and crystal physics [4]. They are a class of materials with high technological interest due to their semiconducting properties, broad band gaps, high optical strength, high photosensitivity and intense luminescence, and potential applications in linear, nonlinear optical and photovoltaic devices [1,2,4]. In particular, HgGa 2 S 4 and Cd 1−x Hg x Ga 2 S 4 are widely used as nonlinear optical materials [5].…”

Section: Introductionmentioning

confidence: 99%

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Impedance Spectroscopy of Nanostructure p-ZnGa₂Se₄/n-Si Heterojunction Diode

et al. 2011

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The impedance characteristics of the nanostructure p-ZnGa2Se4/n-Si heterojunction diode were investigated by impedance spectroscopy method in the temperature range (303-503 K) and the frequency range (42 Hz -5 MHz). The real and imaginary parts of the complex impedance are changed with the frequency. Both are decreased with increasing temperature at the lower frequencies and are merged at the higher frequencies. The dielectrical relaxation mechanism of the diode was analyzed by the Cole-Cole plots. The Cole-Cole plots under various temperatures exhibit one relaxation mechanism. With increasing temperature, the radius of the Cole-Cole plots decreases, which suggests a mechanism of temperature-dependent on relaxation.

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“…Most compounds in this family crystallize in a defect chalcopyrite (DC) structure with a crystallographically ordered array of vacancies. Recently, much research effort has been devoted to the study of these tetrahedrally bonded ordered vacancy compounds [1][2][3]. The low packing efficiency of the constituent atoms in the lattice facilitates doping of impurities and they can form solid solutions [4][5][6].…”

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A study of the electronic, optical and thermal properties for ZnAl₂Se₄ using the FP‐LAPW method

Verma

Singh

Jensen

2011

Physica Status Solidi (b)

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We have calculated the structural parameters, electronic band structures, density of state plot, optical spectra, and thermal properties of ZnAl 2 Se 4 using the full potential linear augmented wave method. The exchange and correlation potentials were calculated using the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA) and the GGA modified by Engel-Vosko (EV-GGA). The results thus obtained are compared with each other and with available experimental data. It has been found that ZnAl 2 Se 4 is a direct wide bandgap semiconductor at ambient conditions (P ¼ 0, T ¼ 0). With the decreasing volume of the unit cell, both the direct (G-G) and indirect (G-H) energy gaps increase and at a ¼ 10.1 Bohr, they coincide. The energy gaps start decreasing with a further decrease of unit-cell volume with a change in the nature of the energy bandgap from direct to indirect. The optical properties show a considerable anisotropy, which makes this compound very useful for various linear-nonlinear optical devices. We find in the present work that the effects of temperature and pressure on different thermal parameters are significant and very useful for optimizing crystal growth.

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Ab-initio study of the structural, linear and nonlinear optical properties of CdAl2Se4 defect-chalcopyrite

Cited by 42 publications

References 25 publications

Linear properties of ternary chalcopyrite semiconductors

Linear properties of ternary chalcopyrite semiconductors

Impedance Spectroscopy of Nanostructure p-ZnGa₂Se₄/n-Si Heterojunction Diode

A study of the electronic, optical and thermal properties for ZnAl₂Se₄ using the FP‐LAPW method

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Ab-initio study of the structural, linear and nonlinear optical properties of CdAl2Se4 defect-chalcopyrite

Cited by 42 publications

References 25 publications

Linear properties of ternary chalcopyrite semiconductors

Linear properties of ternary chalcopyrite semiconductors

Impedance Spectroscopy of Nanostructure p-ZnGa2Se4/n-Si Heterojunction Diode

A study of the electronic, optical and thermal properties for ZnAl2Se4 using the FP‐LAPW method

Contact Info

Product

Resources

About

Impedance Spectroscopy of Nanostructure p-ZnGa₂Se₄/n-Si Heterojunction Diode

A study of the electronic, optical and thermal properties for ZnAl₂Se₄ using the FP‐LAPW method