Thermal-equilibrium processes and electronic transport in undoped hydrogenated amorphous silicon

Abstract

The temperature and time dependence of the d.c. conductivity of undoped hydrogenated amorphous silicon is presented. Measurements of the electronic transport are reported, with particular emphasis on the effects of annealing and cooling the samples. Two regimes of behaviour are observed. When samples are rapidly cooled from 200°C below a temperature T _E～145°C a non-equilibrium dark conductivity, higher than that corresponding to slow cooling, is observed. The electronic and atomic structure then slowly relax and the time dependence of the excess conductivity is well described by a stretched exponential function. The second regime above T _E corresponds to a relaxation time short compared to experimental times and the conductivity is independent of which order the annealing temperature is chosen. Thus the thermal equilibrium processes observed in undoped samples are qualitatively very similar to those observed in doped samples as recently reported in the literature.     

Approximant phases,phason planes and domain-boundary networks in Al−Ni−Rh alloys

Structurally complicated ξ′- and ξ-phases have been found, for the first time, in as-cast Al₇₃Ni₅Rh₂₂ and Al₇₅Ni₁₅Rh₁₀ alloys. The lattice parameters of these two phases were determined by means of electron diffraction and high-resolution transmission electron microscopy (HREM). These two phases have similar orthorhombic structures but with different lattice parameters of a?=?23.2?Å, b?=?16.4?Å, c?=?12.0?Å for the ξ′-phase and a?=?20.3?Å, b?=?16.4?Å, c?=?14.8?Å for the ξ-phase. A new two-dimensional domain-boundary network has also been observed in these two phases. Domain boundaries with normals closely parallel to the [001] direction are actually phason planes represented by a translation vector of r?=(1/2)a?+(1/2τ)c in the ξ′-phase and r=±(1/2τ²) a?+(τ/2)c in the ξ-phase, whereas the newly-found wide and zigzag boundaries perpendicular to the above set were attributed from the step-like boundary structures of domains related by a translation vector of r?=(1/τ)((1/2)a?+(1/2τ)c). The structural difference between the two types of planar faults is discussed.     

The temperature dependence of the optical dispersion parameters in Si and Ge

Abstract

In Si and Ge, the optical dispersion parameters (single-oscillator energy E_o , dispersion energy E_d and bond energy gap E_g developed by Wemple and DiDomenico, and Phillips) have been analysed in the temperature range 100-300 K using data obtained by Icenogle et al. E_o and E_g exhibit a very small temperature dependence in both materials. The thermal coefficients of the dispersion energy, dE_d/dT, have opposite signs (Si, –41·9 × 10^?4eVK^?1; Ge, +37·7 × 10^?4eVK^?1).     

Determination of atomic structure of phason planes in the ξ′-Al–Pd–Mn phase

The atomic structures of specific types of linear defects (phason lines) and planar defects (phason planes) in the complex metallic alloy phase ξ′-Al–Pd–Mn have been determined by high-resolution electron microscopy (HREM) and theoretical HREM simulation. The results show that a representational atomic structural model for phason planes can be constructed by introducing a shift between two parts of the perfect crystalline structure using a translation vector of r ?=?(1/2) a ?+?(1/2τ) c . This typical phason plane is normally parallel to the (001) plane of the ξ′-Al–Pd–Mn phase and consists of phason lines, which are arranged side-by-side with their linear direction parallel to the [010] axis. HREM simulations, based on the structural model for both edge-on and inclined types of phason lines, agree well with the experimental results. Taking into account the fact that the structural difference between various curved phason planes arises from the variation in the arrangement of individual phason lines, the atomic structures of the edge-on and inclined phason lines can be used to explain the various curved phason planes frequently observed in the ξ′-Al–Pd–Mn phase.     

Synthesis and characterization of nanocrystalline MoBi2Te5 thin films for photoelectrode applications

Molybdenum bismuth telluride thin films have been prepared on clean glass substrate using arrested precipitation technique which is based on self-organized growth process. As deposited MoBi₂Te₅ thin films were dried in constant temperature oven at 110°C and further characterized for their optical, structural, morphological, compositional, and electrical analysis. Optical absorption spectra recorded in the wavelength range 300–800?nm showed band gap (E _g) 1.44?eV. X-ray diffraction pattern and scanning electron microscopic images showed that MoBi₂Te₅ thin films are granular, nanocrystalline having rhombohedral structure. The compositional analysis showed close agreements in theoretical and experimental atomic percentages of Mo⁴⁺, Bi³⁺, and Te^2? suggest that chemical formula MoBi₂Te₅ assigned to as deposited molybdenum bismuth telluride new material is confirmed. The electrical conductivity and thermoelectric power measurement showed that the films are semiconducting with n-type conduction. The fill factor and conversion efficiency was characterized by photoelectrochemical (PEC) technique. In this article, we report the optostructural, morphological, compositional, and electrical characteristics of nanocrystalline MoBi₂Te₅ thin films to check its suitability as photoelectrode in PEC cell.     

On the glass transition temperature and the elastic properties in Zr-based bulk metallic glasses

The temperature dependence of the elastic moduli was estimated from ultrasound time of flight measurements performed on bulk metallic glasses of composition Zr_{63? x} Cu₂₄Al _x Ni₁₀Co₃. Using the corresponding values at the glass transition temperature, the local atomic strain was determined. The obtained values for the critical atomic strain calculated for 8 at%?<?x?<?15 at% are close to the predicted universal criterion derived from a topological model, but may also reflect the difference in the chemical interaction that are not accounted by a topological approach.     

Structural effects on diffusion in metallic glasses: The pressure dependence of Ni diffusion in as-quenched and relaxed Co42Zr58

In order to clarify the role of thermal defects in diffusion in metallic glasses, we have measured the temperature and pressure dependences of diffusion of Ni, a probe for Co, in relaxed and non-relaxed amorphous Co₄₂Zr₅₈ alloys by means of the tracer technique in combination with secondary-ion mass spectroscopy. For the relaxed state, the activation energy and the pre-factor are Q _{= (}1:65=0:08₎ eV and D _{0 =} 2:4+3:9 10-6m2 s-1 respectively. The pressure - 1:9 dependence yields an activation volume V _{act = (}0:66 0:15₎Omega, with Omega being the average atomic volume of the alloy. This value is similar to activation volumes in crystalline materials and is indicative of diffusion via thermally generated defects. Unlike monovacancies in crystals, these defects appear to be spread out, judging from recent isotope-effect measurements. Comparison with literature data shows that the activation volume and hence the diffusion mechanism in metallic glasses clearly depend on the structure and composition even for the very same component. The activation volume in the as-quenched state was found to be _{( )} ^{0:93 0:25 Omega.}     

Thanks to 2010 Reviewers

Abstract

The electronic conductivity, diffusion coefficient and the self-energy in the vicinity of the energy gap of amorphous Si at T=0K have been computed as a function of energy for a fully bonded model of Si. We have used the equation-of-motion method in κ-space to show, for the first time, the probable position and existence of mobility edges. The conductivity rises rapidly away from the mobility edges to take values typical of those found in liquid metals. The behaviour of the self-energy indicates that a resonance phenomenon is responsible for the formation of a gap.     

Conduction-electron mediated 1H nuclear spin-lattice relaxation in Ti45Zr38Ni17H x icosahedral quasicrystals

Nuclear magnetic resonance spin-lattice relaxation rates for ¹H in quasicrystalline Ti₄₅Zr₃₈Ni₁₇H _x are presented as a function of temperature and hydrogen concentration x. The temperature dependence demonstrates that the relaxation is via interaction with conduction electrons. The relaxation rate is extremely sensitive to hydrogen content, with the rate changing by a factor of as much as two for samples that differ in x     

Phase transitions of Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass at pressures up to 27 GPa

The phase transitions of Zr_41.2Ti_13.8Cu_12.5Ni₁₀Be_22.5 bulk metallic glass have been investigated under high pressures and at room temperature. Direct resistance measurements in a diamond anvil cell provide evidence of a reversible transition between amorphous and crystalline phases; crystallization events occurred at 24 and 26.2 GPa on uploading, and crystalline-to-amorphous phase transitions were observed at 16 and 10.6 GPa on downloading. The phase transitions were confirmed by transmission electron microscopy observations.     

Distribution of the midgap density of states and their capture cross-sections in hydrogenated amorphous silicon deduced from space-charge-limited conduction in the dark and under illumination

Space-charge-limited current measurements in the dark and under illumination offer the means of obtaining the density of states N(E) and their capture cross-sections s(E) in a range of energy E above the equilibrium Fermi level in hydrogenated amorphous silicon (a-Si:H) n⁺–i–n⁺ structures. N(E) and s(E) have been measured in the energy region from 0.65 to 0.5?eV below the conduction-band edge E _c. The decrease on s(E) observed as the energy E increases agrees with recent observations and is attributed to the coexistence of two types of defect having different capture cross-sections. This is confirmed by light soaking of a-Si:H which makes the defects with high s(E) predominant.     

Analytical derivation of the effective temperature for field-dependent hopping conductivity

The electric-field enhancement of hopping conductivity in amorphous solids can be described in terms of an effective temperature T _eff given by for hopping, at a temperature T and field F, within a uniform distribution of electronic states with localization length γ^?1. We have derived this expression analytically and find at low fields a value for C of 1/2^1/2, which is consistent with the F-independent value C = 0.67 previously obtained numerically for band-tail hopping. With increasing electric field, the decrease in C(F) matches the hopping transport characteristics in amorphous semiconductors (hydrogenated amorphous silicon and hydrogenated amorphous carbon nitride) better than previous numerical simulations.     

Experimental evidence of relaxation arising from the motion of geometrical kinks on screw dislocations in iron

Abstract

Internal friction measurements with a superimposed bias stress have provided evidence for geometrical kink migration on screw dislocations in iron. This intrinsic process causes a relaxation phenomenon in internal friction which has been identified with the occurrence of a subpeak (below 20 K) of the α-peak. The effect of different bias stress has allowed us to evaluate the kink migration energy, E ^m _k ? 0·001eV.     

Structure of a phase induced with Xe-ion irradiation-implantation in γ-TiAl

A phase transformation in γ-TiAl intermetallic alloy was found to be induced with 50keV Xe-ion irradiation-implantation at doses larger than 2.2 x 10¹⁸ ions m^-2 at room temperature. The structure and the chemical composition of the induced phase were investigated with high-resolution transmission electron microscopy and energy-dispersive X-ray spectroscopy. The zones of the induced phase have sizes up to about several tens of nanometres. The phase has a hexagonal structure with a = 0.286 nm and c = 0.462nm. The crystallographic orientation relationship between the phase (P) and the gamma-TiAl matrix is (001)_P//(111)_γ and \[100]_P//[011]_γ. The \[Al]/[Ti] atomic composition ratio in the phase is analysed to be 56/44, slightly different from that of the matrix, 51/49. These results suggest that the induced phase is an Al solid solution of α-Ti alloy phase, which has different structural parameters and chemical composition from those of the reported phase. It is suggested that the size of the ions is important in the phase transformation.     

Formation of icosahedral quasicrystals in an annealed Zr65Al7.5Ni10Cu12.5Ag5 metallic glass

The formation and thermal stability of an icosahedral quasicrystalline phase in an annealed Zr₆₅Al_7.5Ni₁₀Cu_12.5Ag₅ metallic glass have been investigated by X-ray diffraction and transmission electron microscopy analyses. It was found that the quasicrystalline phase can precipitate from the glassy state and the supercooled liquid of the alloy over a wide range of annealing temperatures. After optimizing the heat-treatment conditions, the volume fraction of the quasicrystalline phase in the alloy can reach as high as about 80%. Investigation of the thermal stability of the quasicrystalline phase demonstrates that it is very stable when the annealing temperature is below the glass transformation temperature T _g of the alloy.     

Spontaneous atom mixing and unmixing in metallic nanoparticles

The behaviour of atom mixing and unmixing in metallic nanoparticles has been studied in situ by transmission electron microscopy, using particles in the Au₂Pb-Sn system. It is confirmed that not only spontaneous mixing but also spontaneous unmixing take place in Au₂Pb particles. At room temperature, spontaneous mixing of tin atoms into Au₂Pb particles takes place, and this mixing induces unmixing of lead from Au₂Pb, resulting in the formation of AuSn particles accompanied by lead precipitates.     

Heterophase polydomain structure and metal-semiconductor phase transition in vanadium dioxide thin films deposited on (1010) sapphire

Vanadium dioxide (VO₂) thin films deposited on ₍1010₎ sapphire are composed of two mixed monoclinic phases, namely M1 and M2. The M1 phase is unstable because of the existence of a larger misfit strain in the ₍102₎ VO₂ film. The reduction of misfit strain in the film favours the formation of the M2 phase. The X-ray diffraction and pole figure results show that both M1 and M2 phases are well aligned with the substrate and both contain twinned structures. Therefore, the microstructure of the film can be regarded as being a transversely modulated heterophase polydomain. A higher electrical resistivity ratio of the semiconductor phase to the metallic phase (rho_s/rho_m) can be achieved only in single-phase VO₂ thin films, either the M2 or M1 phase. Phase mixing degrades the ratio of rho_s/rho_m. The film with a single M2 phase exhibits a lower transition temperature of 58 C without any degradation of the rho_s/rho_m ratio.     

Synthesis,transformation and superconductivity of dual phase In–Sn alloy nanoparticles embedded in an Al matrix

We report the synthesis of nanoembedded biphasic alloy particles of In–Sn near eutectic alloy compositions embedded in an aluminium matrix by rapid solidification processing. Detailed transmission electron microscopy indicates that the two phases present at room temperature in as-synthesized samples are β and γ phases with tetragonal and hexagonal crystal structures, respectively. These co-exist with a small amount of single phase In or Sn particles with sizes less than 10?nm. Low temperature magnetization measurements indicate a superconducting transition temperature of 5?K, suggesting complete decomposition of the β-phase at small sizes and at low temperature. The small particles show type II behavior with a critical field Hc₁≈44?G and two values for Hc₂ of 250 and 1000?G, respectively. These values are considerably lower than those observed in bulk In–Sn alloys.     

Structure of twins in GaAs nanowires grown by the vapour–liquid–solid process

Semiconducting crystalline materials that are poor conductors of heat are important as thermoelectric materials and for technological applications involving thermal management. A combination of neutron scattering, lowtemperature ultrasonic attenuation and thermal conductivity measurements are reported on single crystals of the semiconductors Sr₈Ga₁₆Ge₃₀ and Ba₈Ga₁₆Ge₃₀. Taken together, these measurements suggest specific structural features that result in a crystal with the lowest possible thermal conductivity, namely that of a glass with the same chemical composition. Weakly bound atoms that 'rattle' within oversized atomic cages in a crystal result in a low thermal conductivity, but the present data show that both 'rattling' atoms and tunnelling states are necessary to produce a true glass-like thermal conductivity.     

New 1/1 cubic approximant phases in the Al-Cu-Ru-Si system studied by electron diffraction and high-resolution electron microscopy

Two types of new Al-Cu-Ru-Si 1/1 cubic approximant phases, both of which have cell parameters a=12.68A have been found in an as-cast Al_58.5Cu₁₈Ru_13.5Si₁₀ alloy. The two phases have sc and bcc structures respectively and are finely mixed in transmission electron microscopy observations. It is proposed that the sc structure is caused by ordering of atoms in the bcc structure.