Electronic structure of hydrogenated and unhydrogenated amorphous<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Si</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mi> </mml:mi><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:mn /><mml:mi>≤</mml:mi><mml:mi>x</mml:mi><mml:mi>≤</mml:mi><mml:mn>1</mml:mn><mml:mo>.</mml:mo><mml:mn>6</mml:mn><mml:mo>)</mml:mo><

Karcher, Raymond E.; Ley, L.; Johnson, Robert L.

doi:10.1103/physrevb.30.1896

Cited by 413 publications

(96 citation statements)

References 56 publications

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“…These results are in very good agreement with spectroscopic measurements and prior theoretical models. 21,23,24,34 However, our ensemble approach enables us to characterize the distribution of energy levels and compare the theoretical predictions with reported by TSICS measured trap ranges. Figure 11 shows the distribution of trap levels in the bandgap contributed by every defect type.…”

Section: Electronic Structure and Role Of Defectsmentioning

confidence: 99%

“…Extensive experimental studies based on electron paramagnetic resonance (EPR) investigations have associated the charge trapping centers to the existence Si and N dangling bonds. [19][20][21][22][23][24] A combination of optical absorption spectra and EPR measurements indicate that the Si dangling bond contributes to trap energy level at approximately 2.8eV below the conduction band (CB). 23,24 Analyzing the electrical conduction measurements using Poole-Frenkel mechanism models to determine trap depths showed the existence of two different slopes in the same sample indicating existence of two different trap depths.…”

Section: Introductionmentioning

confidence: 99%

“…[19][20][21][22][23][24] A combination of optical absorption spectra and EPR measurements indicate that the Si dangling bond contributes to trap energy level at approximately 2.8eV below the conduction band (CB). 23,24 Analyzing the electrical conduction measurements using Poole-Frenkel mechanism models to determine trap depths showed the existence of two different slopes in the same sample indicating existence of two different trap depths. 25 More recent trap spectroscopy by charge injection and sensing experiments(TSCIS) and back extraction using charge pumping methods indicate that trap levels in stoichiometric a-Si 3 N 4 span a range of energy levels between 0.8-1.8eV from the CB edge with a distinct peak at 1.6 eV below the CB edge.…”

Section: Introductionmentioning

confidence: 99%

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Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study

2012

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ABSTRACT:We present a first principles study of the effect of atomic variability on the structure, mechanical and electronic properties of amorphous silicon nitride. Using a combination of molecular dynamics and density functional theory calculations we predict an ensemble of statistically independent, well-relaxed and stress-free amorphous silicon nitride structures. We analyze the short, intermediate, and long-range order of the structures generated using radial distribution functions, ring statistics, bond angle distributions, and translational invariance parameters. Though energetically very similar, these structures span a wide range of densities (2.75-3.25 g/cm 3 ) and bulk moduli (115GPa to 220 GPa) in good agreement with the fabrication-dependent experimental range. Chemical bonds and atomic defects are identified via a combination of bond distance cutoff and maximally localized Wannier function analysis. A significant number of the amorphous structures generated (~30%) are defect-free providing an ideal reference to characterize the formation energy of the various point defects and their defect energy levels. An analysis of the Kohn-Sham density of states and energetics of the structures reveals that defects in amorphous dielectrics have a distribution of associated properties (e.g. formation energies and electronic energy levels) due to variations in local atomic structure; this should be taken into consideration in physics-based continuum models of these materials.

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Section: Electronic Structure and Role Of Defectsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study

2012

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“…Since Θ-2Θ XRD scans showed that the here investigated SiNx coatings are X-ray amorphous (cf. supporting information), the broadening of the XPS core level components is mainly attributed to the stochastic nature of the bond formation process, where repeating unit cells, and thus well-defined binding energies associated with a given bond type are lacking 50 . Ar + sputter cleaning increased the FWHM of the components by a maximum of 0.2 eV.…”

Section: N2-to-ar Flow Ratiomentioning

confidence: 99%

SiN_x Coatings Deposited by Reactive High Power Impulse Magnetron Sputtering: Process Parameters Influencing the Nitrogen Content

Schmidt

Hänninen

Goyenola

et al. 2016

ACS Appl. Mater. Interfaces

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Reactive high power impulse magnetron sputtering (rHiPIMS) was used to deposit silicon nitride (SiNx) coatings for bio-medical applications. The SiNx growth and plasma characterization were conducted in an industrial coater, using Si targets and N2 as reactive gas. The effects of different N2-toAr flow ratios between 0 and 0.3, pulse frequencies, target power settings and substrate temperatures on the discharge and the N content of SiNx coatings were investigated. Plasma ion mass spectrometry shows high amounts of ionized isotopes during the initial part of the pulse for discharges with low N2-to-Ar flow ratios of < 0.16, while signals from ionized molecules rise with the N2-to-Ar flow ratio at the pulse end and during pulse-off times. Langmuir probe measurements show electron temperatures between 2 -3 eV for non-reactive discharges and 5.0 to 6.6 eV for discharges in transition mode. The SiNx coatings were characterized with respect to their composition, chemical bond structure, density and mechanical properties by X-ray photoelectron spectroscopy, X-ray reflectivity, X-ray diffraction, and nanoindentation, respectively. The SiNx deposition processes and coating properties are mainly influenced by the N2-to-Ar flow ratio and thus by the N content in the SiNx films and to a lower extent by the HiPIMS frequencies and power settings as well as substrate temperatures. Increasing N2-to-Ar flow ratios lead to decreasing growth rates, while the N contents, coating densities, residual stresses and the hardnesses increase. These experimental findings were corroborated by density functional theory calculations of precursor species present during rHiPIMS.

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“…1 (b)). However, the Fermi level (E F ) is found to be near the midgap [9]. These results indicate that the offset between CB and VB of am-SiN x and Si increases with increasing the N content characterized by the parameter x up to x≈1.33.…”

Section: Introductionmentioning

confidence: 75%

Doping-induced modulation of electrical and optical properties of silicon nitride

et al. 2010

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This work presents first-principles calculations of electronic structure and optical properties of doped α-Si 3 N 4 . It is found that B and P impurities form shallow acceptor and deep donor bands, respectively, in the band gap of α-Si 3 N 4 . Analysis of the charge neutrality level indicates that bipolar doping of α-SiN x is possible and that both n-and p-type electrical conductivity can be expected. This result can be helpful to extend the list of device applications of SiN x . Furthermore, it is shown that upon heavy doping with these impurities, the optical properties of the material are modified by doping.Both the refractive index and extinction coefficients are increased over the photon energy range 0-4 eV as a result of the doping.Keywords: Silicon nitride doped by B and P, electrical and optical properties, band offset, charge neutrality level.

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Electronic structure of hydrogenated and unhydrogenated amorphousSiNx (0≤x≤1.6)<

Cited by 413 publications

References 56 publications

Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study

Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study

SiN_x Coatings Deposited by Reactive High Power Impulse Magnetron Sputtering: Process Parameters Influencing the Nitrogen Content

Doping-induced modulation of electrical and optical properties of silicon nitride

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Electronic structure of hydrogenated and unhydrogenated amorphousSiNx (0≤x≤1.6)<

Cited by 413 publications

References 56 publications

Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study

Effect of topological disorder on structural, mechanical, and electronic properties of amorphous silicon nitride: An atomistic study

SiNx Coatings Deposited by Reactive High Power Impulse Magnetron Sputtering: Process Parameters Influencing the Nitrogen Content

Doping-induced modulation of electrical and optical properties of silicon nitride

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Product

Resources

About

SiN_x Coatings Deposited by Reactive High Power Impulse Magnetron Sputtering: Process Parameters Influencing the Nitrogen Content