Electronic and optical features of the mixed crystals Ag0.5Pb1.75Ge(S1–xSex)4

Reshak, A.H.; Kogut, Yuri; Fedorchuk, A.O.; Zamuruyeva, O.V.; Myronchuk, G.L.; Parasyuk, O.V.; Kamarudin, H.; Auluck, S.; Pluciński, K.J.; Bíla, Jiří

doi:10.1039/c3tc30713a

Cited by 12 publications

(12 citation statements)

References 17 publications

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“…1b), in close agreement with our measured energy gap 1.9-2.0 eV. 1 These are the critical points or the minimal thresholds for optical transitions between the valence band maximum (VBM) and the conduction band minimum (CBM). We have used our calculated band structure to indicate the transitions, indicating the major structure for the principal components e 2 (o) in the band structure diagram.…”

Section: Linear Optical Susceptibilitiessupporting

confidence: 88%

“…In our previous work 1 we have demonstrated in detail the procedures for synthesis of the alloys of the Ag 0.5 Pb 1.75 GeS 4 -Ag 0.5 Pb 1.75 GeSe 4 system. It was synthesized from high-purity elements (Ag -99.99 wt%; Pb -99.99 wt%; Ge -99.9999 wt%; S -99.999 wt%, Se -99.997 wt%).…”

Section: Methodsmentioning

confidence: 99%

“…To calculate the linear and nonlinear optical susceptibilities we have make use of our measured X-ray crystallographic data (XRD) of Ag 0.5 Pb 1.75 GeS 3 Se (Ag 2 Pb 7 Ge 4 S 12 Se 4 ) reported in ref. 1. The atomic positions taken from our XRD were optimized by minimizing the forces acting on each atom.…”

Section: Computational Detailsmentioning

confidence: 99%

“…The non-centrosymmetric compound Ag 0.5 Pb 1.75 GeS 3 Se (Ag 2 Pb 7 -Ge 4 S 12 Se 4 ) crystallizes in a cubic structure with the space group I% 43d, and lattice constant a = 1.40291 nm. [1][2][3][4] These compounds possess very unique properties which make them promising candidates for non-linear optical properties (NLO) such as second harmonic generation (SHG), two-photon absorption (TPA), etc. 5,6 The isostructural selenide Ag 0.5 Pb 1.75 GeSe 4 with the cubic lattice constant a = 1.45949 nm was also reported.…”

Section: Introductionmentioning

confidence: 99%

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Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

Reshak¹,

Kogut²,

Fedorchuk³

et al. 2013

Phys. Chem. Chem. Phys.

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155

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As the starting point for a comprehensive theoretical investigation of the linear and nonlinear optical susceptibilities, we have used our experimental crystallographic data for Ag0.5Pb1.75GeS3Se (Ag2Pb7Ge4S12Se4) reported. The experimental crystallographic positions were optimized by minimizing the forces acting on each atom to get meaningful theoretical predictions of the optical properties. The linear optical susceptibilities are calculated. We find that the optical band gap shows very good agreement with our measured gap. The second-order nonlinear optical (NLO) susceptibilities dispersion namely the optical second harmonic generation (SHG) is calculated and compared with our experimental measurements. The microscopic first order hyperpolarizability, β123, vector component along the principal dipole moment directions for the χ((2))(123)(ω) component was obtained theoretically and compared with our measured values at different temperatures. The dependence of the two-photon absorption (TPA) for the pump-probing at SHG of the microsecond CO2 laser was measured. In addition we explored the linear electro-optical effect in these crystals. This effect is described by the third rank polar tensors similarly to the SHG. However, for the Pockels effect besides the electronic contribution, the phonon subsystem also begins to play a principal role. As a consequence we study the dispersion of the linear electro-optical effects in the mentioned crystals.

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Section: Linear Optical Susceptibilitiessupporting

confidence: 88%

Section: Methodsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

Reshak¹,

Kogut²,

Fedorchuk³

et al. 2013

Phys. Chem. Chem. Phys.

Self Cite

155

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show abstract

“…These crystals possess non-centrosymmetric structure (space group I-43d) that indicates likely presence of effects described by third rank polar tensors (second harmonic generation (SHG), linear Pockels phenomenon, piezoelectricity etc.). We have observed earlier that the compounds Ag 0.5 Pb 1.75 GeS 4 and Ag 0.5 Pb 1.75 GeS 3 Se (25 mol% substitution of Se for S) exhibit frequency-doubling effects such as SHG and two-photon absorption (TPA) [4,5]. The crystals of the solid solution compositions with higher amount of selenium than 25-30 mol% cannot be easily grown by Bridgman-Stockbarger method due to the primary crystallization of PbSe which was shown in the Ref.…”

Section: Introductionmentioning

confidence: 99%

Laser operated piezoelectricity in Ag0.5Pb1.75GeS4 and Ag0.5Pb1.75GeS3Se crystals

Kogut

Fedorchuk

Parasyuk

et al. 2016

J Mater Sci: Mater Electron

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Bicolour illumination by 1.54/0.77 lm 20 ns pulsed Er:glass laser beams leads to enhancement of the initial effective piezoelectric coefficients for Ag 0.5 Pb 1.75 GeS 4 and Ag 0.5 Pb 1.75 GeS 3 Se crystals in a different way. The contribution of the photo-thermal effect did not exceed 4 %. The relaxation processes last up to 50 ms and are completely reversible with respect to piezoelectricity. The effect is reproducible even after more than 100 cycles of the photoinduced laser treatment. The use only of the mopnochromatic wavelengths 1.54 lm (0.77 lm) did not show sufficient enhancement of the effect, and the changes were commensurable with the background. The efficiency of the laser photoinduced treatment depends on the angle between the bicolour photoinducing beams, ratio of their intensities and their relaxation behaviour is a slightly different. However, at at 50 ms the photoinduced piezoelectric signal disappears for the both samples. It is crucial that laser polarizations of the photoinducing beams do not play important role.

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Synthesis, structural aspects and nonlinear optical properties of novel phthalimide derivatives: theoretical and experimental approach

Singh

Kishan

Bahadur

et al. 2014

J of Physical Organic Chem

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Novel phthalimides (1-3) possessing variability of cyclic amines have been synthesized and characterized by analytical and spectroscopic techniques. Phthalimide 1 and 2 crystallized in a triclinic system with space group Pī; however, an orthorhombic system with a chiral space group of P2 1 2 1 2 1 was observed for 3 possessing piperidine cyclic amine. The hydrogen atoms attached to the central chiral carbon were oriented anti to each other resulting in minimum steric repulsion. The occurrence of C-H···O hydrogen bonds in 1-3 enabled the building of several supramolecular structures. Hyperpolarizability 197.6096 Debye Å 2 calculated for 1 was found to be higher than the hyperpolarizabilities, 138.0836 and 165.2521 Debye Å 2 measured for 2 and 3, respectively. Subsequently, phthalimides (1-3) were assessed for second harmonic generation (SHG) response, and a negligible response was recorded for 1 and 2; however, 3 showed a significant response of 14.2 mV. In addition to acentric structure, helical structural motifs identified in 3 could be responsible for its enhanced SHG response.

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Electronic and optical features of the mixed crystals Ag0.5Pb1.75Ge(S1–xSex)4

Cited by 12 publications

References 17 publications

Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

Linear, non-linear optical susceptibilities and the hyperpolarizability of the mixed crystals Ag0.5Pb1.75Ge(S1−xSex)4: experiment and theory

Laser operated piezoelectricity in Ag0.5Pb1.75GeS4 and Ag0.5Pb1.75GeS3Se crystals

Synthesis, structural aspects and nonlinear optical properties of novel phthalimide derivatives: theoretical and experimental approach

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