Raman tensor elements of wurtzite ZnO

Sander, Thomas; Eisermann, Sebastian; Meyer, B. K.; Klar, Peter J.

doi:10.1103/physrevb.85.165208

Cited by 60 publications

(56 citation statements)

References 21 publications

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“…2. Panel (a) shows the a-plane spectra for parallel polarization vector configurations, which reproduces the angular modification of experimental spectra38 and the reciprocal intensity ratio of the main peaks. The spectra are, in fact, dominated by Stokes processes due to the A 1 (TO) and phonon modes at 384 and 436 cm −1 , respectively, only 2 cm −1 from the experimental values.…”

Section: Resultsmentioning

confidence: 77%

“…the optical properties), and thus its final performance. This justifies the uninterrupted sequence of experimental reports on vibrational properties of wurtzite ZnO crystal, which started in the sixties and continues nowadays2345678.…”

mentioning

confidence: 59%

“…Following Ref. 8 we considered non-orthogonal polarization vectors, through the inclusion of an arbitrary constant p . The angular distribution and intensity of the peaks depend on the choice of the p factor, i.e.…”

Section: Resultsmentioning

confidence: 99%

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Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Calzolari

Nardelli

2013

Sci Rep

121

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Using first principles calculations based on density functional theory and a coupled finite-fields/finite-differences approach, we study the dielectric properties, phonon dispersions and Raman spectra of ZnO, a material whose internal polarization fields require special treatment to correctly reproduce the ground state electronic structure and the coupling with external fields. Our results are in excellent agreement with existing experimental measurements and provide an essential reference for the characterization of crystallinity, composition, piezo- and thermo-electricity of the plethora of ZnO-derived nanostructured materials used in optoelectronics and sensor devices.

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Section: Resultsmentioning

confidence: 77%

mentioning

confidence: 59%

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Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Calzolari

Nardelli

2013

Sci Rep

121

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“…Among these, A 1 and E 1 modes are polar and split into transverse (A 1 T and E 1 T) and longitudinal (A 1 L and E 1 L) phonons, all being Raman and infrared active; E 2 modes are nonpolar consisting of two modes of low-and high-frequency (E 2 L and E 2 H) phonons and are only Raman active, and B 1 modes are infrared and Raman inactive (silent modes). 56 The frequency of the first-order Raman mode at 577 cm −1 is between the A 1 (LO) mode (574 cm −1 ) and the E 1 (LO) mode (591 cm −1 ), which is a simple sum of both Raman signals and the frequency shifts are multiples of 1-LO zone-center frequency of 577 cm −1 . It is seen that there are four major sharp bands of longitudinal optical (LO) phonons where, the n LO is the nth longitudinal optical phonon.…”

Section: Scheme 1 Schematic Presentation Of Miniaturizing the Band Gmentioning

confidence: 99%

Manipulating Electron Transfer in Hybrid ZnO–Au Nanostructures: Size of Gold Matters

Rahman

Ghosh

2016

J. Phys. Chem. C

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Hybrid semiconductor−plasmonic metal nanostructures (NSs) tailoring of zinc oxide−gold (ZnO−Au) have been synthesized by direct addition of an aliquot of ZnO quantum dots (QDs) to aqueous dispersions of gold nanoparticles (NPs) of five different sizes. Gold nanoparticles of variable sizes have been prepared by Frens' citrate reduction procedure and ZnO QDs by alkaline hydrolysis of zinc acetate dihydrate in methanol. The optical properties of hybrid ZnO− Au nanostructures have been explored by absorption, photoluminescence, and Raman spectroscopy; the intrinsic changes in the optical characteristics of the individual components reflect strong interfacial interaction between ZnO and Au nanostructures. The binding of ZnO QDs to the colloidal gold particles has further been elucidated by Fourier transform infrared spectroscopy and cyclic voltammetry measurements. The morphology and crystallinity of the ZnO−Au NSs have been characterized by transmission electron microscopy, high resolution transmission electron microscopy, selected area electron diffraction, and X-ray diffraction techniques. Absorption spectral studies have revealed that ZnO QDs attached on the size-specific Au NPs elicites the modification of band gap in hybrid semiconductor−metal nanostructures. The catalytic activities of the as-prepared ZnO−Au NSs consisting of gold nanoparticles of variable sizes have been probed by employing photochemical decomposition of Evans blue under visible light irradiation as the model reaction. Finally, the trends in the alteration of different interaction parameters in structuring hybrid semiconductor−metal nanostructures with the band gap have been correlated.

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“…Thus, the additional overtone and combination modes which originate from ZnO are 2E2 = 2×101 cm -1 = 202 cm -1 , A1(LO)+E1(LO) = 1149 cm -1 , 434 cm -1 (101+334) cm -1 , 668 cm -1 (2×334 cm -1 ). The 334 cm -1 mode has been observed by many authors [9,30,31] but its origin is still under discussion although it clearly follows the A1(TO) mode [32].…”

Section: Raman Spectroscopymentioning

confidence: 99%

Role of substrate and annealing temperature on the structure of ZnO and AlxZn1−xO thin films for solar cell applications

Nambala

Nel

Machatine

et al. 2016

Physica B: Condensed Matter

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This paper reports on the deposition of pure and 5 at.% Al doped ZnO (AZO) prepared by sol-gel and applied to the substrates by spin-coating, and the role of annealing temperature on the crystallinity of these layers. It is found that both ZnO and AZO are largely amorphous when coated on glass compared to n-Si(111), as substrates. On both substrates, X-ray diffraction (XRD) shows that the crystallinity improves as annealing temperature is raised from 200 to 600 °C with better crystallinity on Si substrates. The thickness of the films on substrates was determined as 120 nm by Rutherford backscattering spectroscopy (RBS). Specular ultra-violet visible (UV-vis) gives the direct transition optical band gaps (Eg) for AZO as-deposited films are 2.60 and 3.35 eV while that of 600 °C annealed films are 3.00 and 3.60 eV. The Eg calculated from diffuse reflectance spectroscopy (DRS) UV-vis are more diverse in ZnO-and AZO-Si than the ZnO-and AZO-glass samples, although in both sets the Eg tend to converge after annealing 600 °C. The Raman spectra of samples show multiphonon processes of higher order from the AZO and substrates. It is found that residual stresses are related to E2 Raman mode.

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Raman tensor elements of wurtzite ZnO

Cited by 60 publications

References 21 publications

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Manipulating Electron Transfer in Hybrid ZnO–Au Nanostructures: Size of Gold Matters

Role of substrate and annealing temperature on the structure of ZnO and AlxZn1−xO thin films for solar cell applications

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