Search results for "Films"

Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations

2016

We have performed density functional theory calculations using the HSE06 hybrid functional to investigate the energetics, atomic, and electronic structure of intrinsic defects as well as Na and K impurities in the kesterite structure of the Cu2ZnSnSe4 (CZTSe) solar cell material. We found that both Na and K atoms prefer to be incorporated into this material as substitutional defects in the Cu sublattice. At this site highly stable (Na–Na), (K–K), and (Na–K) dumbbells can form. While Na interstitial defects are stable in CZTSe, the formation of K interstitial defects is unlikely. In general, the calculated formation energies for Na-related defects are always lower compared to their K-related…

Comparative Theoretical Analysis of BN Nanotubes Doped with Al, P, Ga, As, In, and Sb

2013

SUMMARY AND CONCLUDING REMARKS We have performed large-scale first-principles calculations ofthe electronic structure of (5,5) boron nitride nanotubescontaining the following substitutional impurity atoms: Al, P,Ga, As, In, and Sb. Calculations have been performed using thetwo methods: (i) linear combination of atomic orbitals(LCAO) with the atomic-centered Gaussian-type functions asa basis set and (ii) linearized augmented cylindrical wave(LACW) accompanied with the local density functional andmuffin-tin approximations for the electronic potential. In arelatively good qualitative agreement, both methods predict lowformation energies and, thus, relative stability of point defectsthat are assoc…

Conic optical fiber probe for generation and characterization of microbubbles in liquids

2021

Abstract A novel optical fiber probe has been developed to provide mechanical stability to microbubbles generated in fluids, the tip of the fiber is etched with hydrofluoric acid to pierce a truncated horn that fastens the microbubbles to the fiber tip and prevents misalignment or detachment caused by convection currents, vibrations or shocks in the liquid. Microbubbles are photo-thermally generated on the etched fiber and used as Fabry-Perot cavity sensor. Two methods were used to interrogate the probe: the first one, in the wavelength domain, is suitable for calibration in static or quasi static situations; the second one, in the time domain, can be used in dynamic environments. Experimen…

Complex structural contribution of the morphotropic phase boundary in Na0.5Bi0.5TiO3 - CaTiO3 system

2019

Abstract The correlation between structure and dielectric properties of lead-free (1-x)Na0.5Bi0.5TiO3 - xCaTiO3 ((1-x)NBT - xCT) polycrystalline ceramics was investigated systematically by X-ray diffraction, combined with impedance spectroscopy for dielectric characterizations. The system shows high miscibility in the entire composition range. A morphotropic phase boundary (MPB), at 0.09 ≤ x

High-frequency electrodeless lamps in argon–mercury mixtures

2005

In this paper, numerical and experimental investigations of high-frequency (HF) electrodeless lamps in argon–mercury mixtures are performed. The intensities of the mercury spectral lines having wavelengths λ = 404.66, 435.83, 546.07 nm (7 3S1–6 3P0,1,2) and the resonance line λ = 253.7 nm (6 3 P1–6 1S0) are measured at a wide range of mercury pressures, varying the HF generator current and argon filling pressure. A stationary self-consistent model of HF electrodeless discharge lamp is developed including kinetics of the excited mercury and argon atomic states. Based on the developed model, the radiation characteristics of the discharge plasma are calculated. Numerical simulation of the line…

2018

CrN thin films with an N/Cr ratio of 95% were deposited by reactive magnetron sputtering onto (0 0 0 1) sapphire substrates. X-ray diffraction and pole figure texture analysis show CrN (1 1 1) epitaxial growth in a twin domain fashion. By changing the nitrogen versus argon gas flow mixture and the deposition temperature, thin films with different surface morphologies ranging from grainy rough textures to flat and smooth films were prepared. These parameters can also affect the CrN x system, with the film compound changing between semiconducting CrN and metallic Cr2N through the regulation of the nitrogen content of the gas flow and the deposition temperature at a constant deposition pressur…

The α and γ plasma modes in plasma-enhanced atomic layer deposition with O2-N2 capacitive discharges

2017

Two distinguishable plasma modes in the O2–N2 radio frequency capacitively coupled plasma (CCP) used in remote plasma-enhanced atomic layer deposition (PEALD) were observed. Optical emission spectroscopy and spectra interpretation with rate coefficient analysis of the relevant processes were used to connect the detected modes to the α and γ modes of the CCP discharge. To investigate the effect of the plasma modes on the PEALD film growth, ZnO and TiO2 films were deposited using both modes and compared to the films deposited using direct plasma. The growth rate, thickness uniformity, elemental composition, and crystallinity of the films were found to correlate with the deposition mode. In re…

Tuning of interfacial perpendicular magnetic anisotropy and domain structures in magnetic thin film multilayers

2019

We investigate the magnetic domain structures and the perpendicular magnetic anisotropy (PMA) arising in CoFeB films interfaced with selected heavy metal (HM) layers with large spin Hall angles in HM/CoFeB/MgO (HM = W, Pt, Pd, W x Ta1−x ) stacks as a function of CoFeB thickness and composition for both as-deposited and annealed materials stacks. The coercivity and the anisotropy fields of annealed material stacks are higher than for the as-deposited stacks due to crystallisation of the ferromagnetic layer. Generally a critical thickness of MgO > 1 nm provides adequate oxide formation at the top interface as a requirement for the generation of PMA. We demonstrate that in stacks with Pt as th…

Quantitative analysis of magnetization reversal in Ni thin films on unpoled and poled (0 1 1) [PbMg1/3Nb2/3O3]0.68–[PbTiO3]0.32piezoelectric substrat…

2016

The field angle dependence of the magnetization reversal in 20 nm thick polycrystalline Ni films grown on piezoelectric (0 1 1) [PbMg1/3Nb2/3O3](0.68)-[PbTiO3](0.32) (PMN-PT) substrates is analysed quantitatively to study the magnetic anisotropy induced in the film by poling the piezosubstrate. While the PMN-PT is in the unpoled state, the magnetization reversal is almost isotropic as expected from the polycrystalline nature of the film and corresponding to an orientation ratio (OR) of 1.2. The orientation ratio is obtained by fitting the angular dependence of normalized remanent magnetization to an adapted Stoner-Wohlfarth relation. Upon poling the piezosubstrate, a strong uniaxial anisotr…

The effects of thermal treatment on structural, morphological and optical properties of electrochemically deposited Bi2S3 thin films

2017

Abstract Thin films of bismuth sulfide (Bi 2 S 3 ) have been electrochemically deposited on indium–doped tin oxide substrates from aqueous solutions of Bi(NO 3 ) 3 , ethylene diamine tetraacetic acid (EDTA) and Na 2 S 2 O 3 . The structural properties of the films were characterized using X–ray diffraction and high–resolution transmission electron microscopy analyses. The film crystallizes in an orthorhombic structure of Bi 2 S 3 along with metallic bismuth. Thermal annealing of the prepared film in sulfur atmosphere improves its crystallinity and cohesion. The band gap values of the deposited film before and after annealing at 400 °C were found to be 1.28 and 1.33 eV, respectively.