Structural parameters, elastic properties and piezoelectric constants of wurtzite ZnS and ZnSe under pressure

Ferahtia, S.; Saib, S.; Bouarissa, N.; Benyettou, S.

doi:10.1016/j.spmi.2013.12.021

Cited by 46 publications

(17 citation statements)

References 35 publications

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“…In addition, Table 3 compares the numerical values of the zone-center (Γ points) phonon frequencies of this work with earlier experimental and theoretical data of WZ ZnS. As seen in Table 3, the agreement with experiment is quite good, especially for A1 (TO), E1 (TO) and A2 (TO), E2 (TO) phonon modes and competing with recent GGA and LDA DFT data of Reference [14]. Further, we have focused on the ground state phonon density of states (PDOS) of WZ ZnS to clarify the contribution of the both elements (Zn and S) to the phonon properties of the compound.…”

Section: Resultssupporting

confidence: 71%

“…Recently, Yu et al [13] performed DFT calculations by using both the local density approximation (LDA) and GGA for the exchange-correlation potential and calculated the phonon dispersion curves and the phonon density of states of WZ ZnS in which the calculated values display good agreement with earlier experimental and theoretical data. In another recent study, Ferahtia et al [14] published the first-principles plane-wave-based pseudopotential method calculations of the structural, elastic, and piezoelectric parameters of WZ ZnS and concluded a reasonable degree of agreement between their results and data available in the literature.…”

Section: Introductionmentioning

confidence: 84%

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Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Güler

2017

Crystals

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Abstract:We report for the first time the application of a mixed-type interatomic potential to determine the high-pressure elastic, mechanical, and phonon properties of wurtzite zinc sulfide (WZ-ZnS) with geometry optimization calculations under pressures up to 12 GPa. Pressure dependency of typical elastic constants, bulk, shear, and Young moduli, both longitudinal and shear wave elastic wave velocities, stability, as well as phonon dispersions and corresponding phonon density of states of WZ-ZnS were surveyed. Our results for the ground state elastic and mechanical quantities of WZ-ZnS are about experiments and better than those of some published theoretical data. Obtained phonon-related results are also satisfactory when compared with experiments and other theoretical findings.

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Section: Resultssupporting

confidence: 71%

Section: Introductionmentioning

confidence: 84%

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Güler

2017

Crystals

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“…]/[Zn 2? ]) varied in the range (6)(7)(8)(9)(10)(11)(12)(13)(14)(15)(16)(17)(18) at.% with a step of 6 at.%.…”

Section: Experimental Details 21 Materialsmentioning

confidence: 99%

“…ZnS compound is a promoting candidate for a large variety of applications including photonic crystal sensors [3], optical filters [4], light-emitting diodes [5], anti-reflection coatings [6], electroluminescent devices [7], flat panel displays, phosphors [8] and photovoltaic cells [5]. Various synthetic methods have been employed to synthesize ZnS thin films, such as metal organic chemical vapor deposition (MOCVD) [9], sol-gel deposition [10], radio frequency (RF) magnetron sputtering [11], thermionic vacuum arc [12], molecular beam epitaxy (MBE) [13], pulsed laser deposition (PLD) [14], successive ionic layer adsorption and reaction (SILAR) [15] and chemical bath deposition (CBD) [16].…”

Section: Introductionmentioning

confidence: 99%

Effect of copper concentration on the physical properties of ZnS:Cu alloys prepared by chemical bath deposition

Jrad

Naffouti

Nefzi

et al. 2016

J Mater Sci: Mater Electron

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ZnS:Cu thin films were deposited on glass substrates by chemical bath deposition technique. The structural, morphological, optical and electrical properties of the grown films were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier transform infrared spectrometry, scanning electron microscopy, spectrophotometry, spectrofluorimetry and Hall effect measurements. Both XRD and Raman analysis indicated the coexistence of both sphalerite ZnS and covellite CuS with cubic and hexagonal structures, respectively. The optical band gap of the films increased from 3.70 to 3.75 eV with Cu concentration increment. Photoluminescence studies revealed that the incorporation of Cu 2? ions in ZnS matrix blue shifted and quenched the emission bands. Electric resistivity, volume carrier concentration, surface carrier concentration and Hall mobility were determined from Hall effect measurements. Indeed, for pure sample, the obtained values were about 7.586 9 10 4 X cm, 1.472 9 10 11 cm -3 , 2.944 9 10 6 cm -2 and 5.590 9 10 2 cm 2 V -1 s -1 , respectively. However, after Cu incorporation, these values varied in the range of (2.273 9 10 4 -13.80 9 10 4 ) X cm, (2.334 9 10 11 -9.094 9 10 13 ) cm -3 , (4.668 9 10 6 -1.819 9 10 9 ) cm -2 and (3.092 9 10 -1 -1.937 9 10 2 ) cm 2 V -1 s -1 , respectively.

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“…[ 3 ] When MoS 2 is the monolayer or other odd number of atomic layers, it will lose the inversion center of the crystal and become a piezoelectric semiconductor with a non‐central symmetric structure, similar to ZnO, [ 11 ] GaN, [ 12 ] InN, [ 13 ] and ZnS. [ 14 ] In contrast, the 3D and even‐numbered layers of MoS 2 do not have the piezoelectric properties due to their central symmetry. PL spectra can be utilized to reveal the behaviors of many‐body quasiparticles [ 15 ] formed by Coulomb interaction in different layers of MoS 2 , and the quasiparticles mainly include excitons and trions (charged excitons) which are one electron—one hole and two electrons—one hole, respectively.…”

Section: Introductionmentioning

confidence: 99%

Layer‐Dependent Exciton Modulation Characteristics of 2D MoS₂ Driven by Acoustic Waves

Sheng

Tai

Yin

et al. 2020

Advanced Optical Materials

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Acoustic waves were recently utilized to modulate and control the electronic, optical, and magnetic properties of 2D materials. Among 2D materials, the mechanically exfoliated MoS2 with a perfect crystal structure provides an ideal platform to study its exciton characteristics. However, layer‐dependent exciton modulation characteristics of the 2D materials are still not systematically investigated under acoustic waves. Here, the in situ confocal fluorescence spectroscopy is used to probe the behavior of the excitons in 2D MoS2 under acoustic excitation. The high‐frequency acoustic field with a radial vibration frequency of 200 kHz is used as the excitation source which is produced by the piezoelectric ceramic chip. The results show that the exciton characteristics strongly depend on the layer numbers of the MoS2: under acoustic excitation, the fluorescence quenching degree in the odd layers of the sheets with intrinsic piezoelectricity is remarkably larger than that in the even layers without piezoelectricity; moreover, the PL peak position of the MoS2 with the odd layers is blue‐shifted with increase of the applied power while that with the even layers remains unchanged. Thus, this work paves the way to develop high‐performance optical and optoelectronic devices driven by acoustic waves.

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Structural parameters, elastic properties and piezoelectric constants of wurtzite ZnS and ZnSe under pressure

Cited by 46 publications

References 35 publications

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Effect of copper concentration on the physical properties of ZnS:Cu alloys prepared by chemical bath deposition

Layer‐Dependent Exciton Modulation Characteristics of 2D MoS₂ Driven by Acoustic Waves

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Structural parameters, elastic properties and piezoelectric constants of wurtzite ZnS and ZnSe under pressure

Cited by 46 publications

References 35 publications

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Theoretical Analysis of Elastic, Mechanical and Phonon Properties of Wurtzite Zinc Sulfide under Pressure

Effect of copper concentration on the physical properties of ZnS:Cu alloys prepared by chemical bath deposition

Layer‐Dependent Exciton Modulation Characteristics of 2D MoS2 Driven by Acoustic Waves

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Layer‐Dependent Exciton Modulation Characteristics of 2D MoS₂ Driven by Acoustic Waves