Pressure–temperature studies on conductivity of TlX(X=Cl,Br,I) compounds:: I: phase diagram. II: ionic mobility

We have measured the conductivity σ of TlX(X=Cl, Br, I) compounds up to 5.3 GPa and between 300–823 K. The σ–T dependence for all compounds can be divided into three distinct regions: (i) low temperature (LT), <400 K, with unusual negative σ–T dependence, (ii) intermediate temperature (IT), 400<650 K, with positive σ–T dependence and (iii) high temperature (HT), T>650 K, with positive σ–T dependence. The σ–T isobars were used to construct the T–P solid phase diagram for each compound. The LT region data indicate a new meta-stable phase in the 1.0–3.5 GPa range. The LT→IT transition is characterized by an inverse σ–T dependence followed by normal Arrhenius behavior up to and including the HT region. The extrapolation to 1 atm of the P-dependent boundary between IT and HT regions above 3 GPa for each compound in the P–T plot yields a value close to its respective normal (1 atm) T_melt suggesting a solid order–disorder transition type paralleling -AgI behavior. The abrupt drop in conductivity in the LT region for P between 2.5–4.1 GPa of all compounds is at variance with the Arrhenius behavior observed for unperturbed ion migration implying the appearance of a second factor overriding the Arrhenius temperature dependence. Normal Arrhenius σ–T dependence prevails in both IT and HT regions with Q_c values of 85–100 kJ mol⁻¹ and 50–75 kJ mol⁻¹, respectively. The higher conductivities at 0.4 GPa for TlBr and TlI relative to their 1 atm data and the increasing σ with P are in strong contrast to the normal σ-P behavior of TlCl. The dependence of activation volume ΔV^‡ on T for TlCl, i.e. ΔV^‡>0, shows abnormally high values with a maximum at 500 K for P<3.0 GPa but reasonable ΔV^‡ values appear above 3.0 GPa. The ΔV^‡–T dependence for both TlBr and TlI with ΔV^‡<0 is incompatible with an ion transport mechanism suggesting an electronic conduction process and implying an ionic–metallic transition at higher pressures. These contrasting conductivity features are discussed and interpreted in terms of electronegativity differences and bonding character rather than structure.     

Characterization of metal/GaN Schottky interfaces based on I–V–T characteristics

Interface properties of metal/n- and p-GaN Schottky diodes are studied by I–V–T and C–V–T measurements, and simulation of their characteristics. On the basis of the previously proposed “surface patch” model, the gross behavior of I–V–T characteristics, which includes Richardson plots together with temperature dependence of the effective Schottky barrier heights (SBHs) and n-values, can be well reproduced. Furthermore, the dependence of the true SBH on the metal work function was also deduced from high-temperature I–V curves, giving S-values of 0.28 and 0.20 for n- and p-GaN samples, respectively, and the interface Fermi level tends to be pinned at a characteristic energy of about two-third of the bandgap.     

An isothermal equation of state for solids

An isothermal equation of state (EOS) for solids, recently suggested by the authors in the realistic form, V/V₀=f(P), with relative volume as the dependent and the pressure as the independent variable, was shown to have an advantage for some close-packed materials in that it allows B′_∞=(∂B_s/∂P)_s(P→∞) to be fitted, and this is where the usual standard equations fail. In the present study, our EOS is applied to a number of inorganic as well as organic solids, including alloys, glasses, rubbers and plastics; varying widely in their bonding and structural characteristics, as well as in their bulk modulus values. A very good agreement is observed between the data and fits. The results obtained are compared with those from two well-known equations, expressible in the realistic form, proposed by Murnaghan and Luban. Further, the results are also compared with those from the widely used two- and three-parameter EOSs, expressible in the unrealistic form only, P=f(V/V₀), proposed by Birch—and also with those from the EOS model of Keane in which B′_∞ is explicitly expressed as an equation of state parameter. The results obtained from our model compare well to these EOSs. Our EOS, in general, yields the smallest mean-squared deviations between data and fits. The values of B′_∞calculated from our EOS are compared with those from Keane's model. Further, we have studied the variation of B′_∞with temperature using the experimental isotherms of Mo and W at 10 different temperatures ranging from 100 to 1000 K, and observed that the values of B′_∞ yielded by our model and that of Keane vary, as expected, within a narrow range. Furthermore, our EOS is applied to study the stability of the fit parameters with variation in the pressure ranges with reference to the isothermal compression data on Mo and W—and also to study the variation of isothermal bulk modulus with pressure, with reference to the ultrasonic data on NaCl and noted a very good agreement with experiment. In addition, our model is applied, with B₀ and B′₀ constrained to the theoretical values, to the five theoretical isotherms of MgO at 300, 500, 1000, 1500 and 2000 K obtained on the basis of a first principles approach—a good agreement is observed with the predictions, and the values of B′_∞ inferred at different temperatures tend to converge to a constant value.     

Determination of localized states in porous silicon

We determined the density of state distribution near the Fermi level in porous silicon from the analysis of the current–voltage (J–V) and the current–thickness (J–T) characteristics in the space-charge-limited-current (SCLC) regime. The distribution exhibits a minimum density at the Fermi level, which is similar to the U-shape-trap-distribution observed in crystalline Si–SiO₂ interface or in amorphous Si. Theoretical analysis well explains both the J–V and the J–L characteristics, which implies that the current flow is entirely controlled by localized states situated at the quasi-Fermi level.     

Entropy of MgO based on the Stacey equation of state

In the present communication we have modified the earlier calculations for the compression dependence of entropy of MgO using recent experimental data and more accurate equation of state. We have estimated the thermal expansivity with the help of the Anderson–Isaak equation at different compressions and selected temperatures up to the melting temperature of the solid. P–V relationship and compression dependence of isothermal bulk modulus are computed with the help of the Stacey equation of state. The results have been compared with those recommended by Cynn et al. [J. Phys. Chem. 99/19 (1995) 7813]. It is found that the entropy decreases with increasing compression along an isotherm.     

Mechanism of current leakage through metal/n-GaN interfaces

Detailed current–voltage–temperature (I–V–T) measurements were performed on the Schottky diodes fabricated on MOVPE-grown n-GaN layers. A large deviation from the thermionic emission (TE) transport was observed in the reverse I–V curves with a large excess leakage. From the calculation based on the thermionic-field emission (TFE) model, it was found that the tunneling plays an important role in the carrier transport across the GaN Schottky barrier even for doping densities as low as 1×10¹⁷ cm⁻³. A novel barrier-modified TFE model based on presence of near-surface fixed charges or surface states is proposed to explain the observed large reverse leakage currents.     

Phase transition from solid to liquid phase of vortex lattice in YBa2Cu3O7 thin films

We measured voltage V versus current I curves with a function of temperature T and magnetic field H for YBa₂Cu₃O₇ single-crystalline thin films. The characteristics of the pinning type was found to be changed with the change in T, in contradiction to Kramer's scaling law. Furthermore, we analyzed I–V curves in terms of the flux creep model proposed by Anderson and Kim. In low H region the product of flux bundle volume v_d and its jump distance l decreased with the increase of H, while in high H region the product increased rapidly with H, suggesting a rapid increased of interaction length between vortices. These results imply all evidence of an occurence of vortex liquid phase in the high H regime. We showed that the transition region between the above two regimes is located in the vicinity of H at which the critical current density begins to decrease rapidly with the increase of H.     

Thermodynamic properties of MgO under high pressure from first-principles calculations

The equations of state (EOS) and other thermodynamic properties of the rocksalt (RS) structure MgO are investigated by ab initio plane-wave pseudopotential density functional theory method. The obtained results are consistent with the experimental data and those calculated by others. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the dependences of relative volume V/V₀ on pressure P, cell volume V on temperature T, and Debye temperature Θ and specific heat C_V on pressure P are successfully obtained. The variation of the thermal expansion with temperature and pressure is investigated, which shows the temperature has hardly any effect on the thermal expansion at higher pressure.     

First-principles calculations of thermodynamic properties of TiB2 at high pressure

The equations of state (EOS) and other thermodynamic properties of TiB₂ are investigated using ab initio plane-wave pseudopotential density functional theory method. The obtained results are in good agreement with the experimental measured data and other theoretical calculated ones. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the dependences of relative volume V/V₀ on pressure P, cell volume V on temperature T, and Debye temperature Θ and specific heat C_V on pressure P are successfully obtained.     

Ti/Al p-GaN Schottky barrier height determined by C–V measurements

Data are presented on the rigorous method of capacitance–voltage (C–V) measurements to the barrier height of Ti/Al p-GaN Schottky junction. For a sample with Hall concentration of 5.5 × 10¹⁶/cm³ the upper limit of the modulation frequency leading the full response of the activated carriers is defined as 1.5 kHz from the capacitance versus modulation frequency (C–f) plot. The activation energy of the Mg acceptors determined from the temperature-dependent C–f plot is 0.12 eV. The barrier height estimated with this activation energy and the intercept voltage of the 1/C²–V plot drawn with the 1.5 kHz C–V data is 1.43 eV at 300 K and 1.41 eV at 500 K. This is the most reliable barrier height ever reported. A reliable room temperature C–V doping profile is demonstrated using the 1.5 KHz modulation, which is sensitive enough to resolve the presence of a 15 nm thin highly doped (8 × 10¹⁸/cm³) layer formed near the surface.     

Interlayer tunnelling in Bi2Sr2CaCu2O8+δ single crystals

We present measurements of the intrinsic quasi-particle conductivity along the c-axis of 2212-BSCCO single-crystal mesa structures in the superconducting and normal states. Direct measurement of the mesa temperature enables corrections to be made for self-heating and permits the acquisition of reliable I–V characteristics over a wide range of temperatures and voltages. Unlike a conventional superconductor, there is no evidence for any change in the quasi-particle conductivity at T_c, consistent with precursor pairing of electrons in the normal state. At low temperatures the initial low-voltage linear conductivity exhibits a T² dependence, approaching a limiting value at zero temperature.     

Description peculiarities of viscous and elastic properties of dense molecular liquids on the basis of the model of Lennard-Jones (n−6) fluid

Results previously obtained in molecular dynamics experiment with Lennard-Jones (n−6) (L-J (n−6)) fluid were applied for the determination of viscous and elastic properties of real molecular fluids (shear viscosity coefficient and pressure). Parameters σ and of real liquids (liquid hydrocarbons) were determined by fitting p–ρ–T data of model fluids to experimental p–ρ–T data of real liquids. Using the data obtained in that way, parameters σ and viscous and elastic characteristics of real liquids were determined. The comparison of experimental and calculated viscous and elastic characteristics revealed lesser dependence of viscous properties from n in comparison with elastic properties.     

Analysis of frequency-dependent series resistance and interface states of In/SiO2/p-Si (MIS) structures

In this work, the investigation of the interface state density and series resistance from capacitance–voltage (C–V) and conductance–voltage (G/ω−V) characteristics in In/SiO₂/p-Si metal–insulator–semiconductor (MIS) structures with thin interfacial insulator layer have been reported. The thickness of SiO₂ film obtained from the measurement of the oxide capacitance corrected for series resistance in the strong accumulation region is 220 Å. The forward and reverse bias C–V and G/ω−V characteristics of MIS structures have been studied at the frequency range 30 kHz–1 MHz at room temperature. The frequency dispersion in capacitance and conductance can be interpreted in terms of the series resistance (R_s) and interface state density (D_it) values. Both the series resistance R_s and density of interface states D_it are strongly frequency-dependent and decrease with increasing frequency. The distribution profile of R_s–V gives a peak at low frequencies in the depletion region and disappears with increasing frequency. Experimental results show that the interfacial polarization contributes to the improvement of the dielectric properties of In/SiO₂/p-Si MIS structures. The interface state density value of In/SiO₂/p-Si MIS diode calculated at strong accumulation region is 1.11×10¹² eV⁻¹ cm⁻² at 1 MHz. It is found that the calculated value of D_it (≈10¹² eV⁻¹ cm⁻²) is not high enough to pin the Fermi level of the Si substrate disrupting the device operation.     

Effect of oxide thickness on the capacitance and conductance characteristics of MOS structures

In this work, the investigation of the interface states density and series resistance from capacitance–voltage (C–V) and conductance–voltage (G–V) characteristics in Au/SnO₂/n-Si (MOS) structures prepared at various SnO₂ layer thicknesses by spray deposition technique have been reported. It is fabricated five samples depending on deposition time. The thicknesses of SnO₂ films obtained from the measurement of the oxide capacitance in the strong accumulation region for MOS Schottky diodes are 37, 79, 274, 401, and 446 Å, for D1, D2, D3, D4, and D5 samples, respectively. The C–V and G–V measurements of Au/SnO₂/n-Si MOS structures are performed in the voltage range from −6 to +10 V and the frequency range from 500 Hz to 10 MHz at room temperature. It is observed that peaks in the forward C–V characteristics appeared because of the series resistance. It has been seen that the value of the series resistance R_s of samples D1 (47 Ω), D2 (64 Ω), D3 (98 Ω), D4 (151 Ω), and D5 (163 Ω) increases with increasing the oxide layer thickness. The interface state density D_it ranges from 2.40×10¹³ cm⁻² eV⁻¹ for D1 sample to 2.73×10¹² cm⁻² eV⁻¹ for D5 sample and increases with increasing the oxide layer thickness.     

Increase and decrease of tunneling by variation of the barrier height

We show, based on some results from classical analysis, that time-dependent perturbations can either increase or decrease the tunneling probability. The results depend on the form of the function T(√V), where T is the transmission coefficient and V the potential. If T(√V) is convex, the perturbation will always result in a decrease of the tunneling; if T(√V) is concave, both increase as well as decrease occur.     

Photoluminescence and capacitance–voltage characterization of GaAs surface passivated by an ultrathin GaN interface control layer

A novel surface passivation technique for GaAs using an ultrathin GaN interface control layer (GaN ICL) formed by surface nitridation was characterized by ultrahigh vacuum (UHV) photoluminescence (PL) and capacitance–voltage (C–V) measurements. The PL quantum efficiency was dramatically enhanced after being passivated by the GaN ICL structure, reaching as high as 30 times of the initial clean GaAs surface. Further analysis of PL data was done by the PL surface state spectroscopy (PLS³) simulation technique. PL and C–V results are in good agreement indicating that ultrathin GaN ICL reduces the gap states and unpins the Fermi level, realizing a wide movement of Fermi level within the midgap region and reduction of the effective surface recombination velocity by a factor of 1/60. GaN layer also introduced a large negative surface fixed charge of about 10¹² cm⁻². A further improvement took place by depositing a Si₃N₄ layer on GaN ICL/GaAs structure.     

Electrical peculiarities in Al/Si/Ge/…/Ge/Si and Al/SiGe/Si structures

The current–voltage (I–V) and capacitance–voltage (C–V) behaviour of different Si/Ge multilayers and SiGe single layers prepared on p-type Si substrates by magnetron sputtering and annealing, has been studied in the temperature range of 80–320 K by using Al Schottky contacts as test structures. Although a significant influence of the microstructure of the Si/Ge multilayers and SiGe layers was obtained on the electrical behaviour of the structures, the structures exhibited similar specific features.     

On the barrier inhomogeneities of polyaniline/p-Si/Al structure at low temperature

The current–voltage (I–V) characteristics of Au/polyaniline(PANI)/p-Si/Al structures were determined at various temperatures in the range of 90–300 K. The evaluation of the experimental I–V data reveals a decrease of the zero-bias barrier height (BH) and an increase of the ideality factor (n) with decreasing temperature. It was shown that the occurrence of a Gaussian distribution of then BHs is responsible for the decrease of the apparent BH, increase of the ideality factor n due to barrier height imhomogeneities that prevail at the interface. A Φ_b0 versus 1/T plot has been drawn for evidence of the Gaussian distribution of the barrier height, and and σ₀ = 0.0943 V for the mean barrier height and zero-bias standard deviation, respectively, have been obtained from this plot. Thus, a modified versus 1/T plot gives and A^* as 0.885 eV and A^* = 55.80 A/K² cm², respectively. Hence, it can be concluded that Au/PANI/p-Si/Al structure has a good rectifying contact and the temperature dependence of I–V characteristics of the rectifying contact on p-Si successfully have been explained on the basis of TE mechanism with Gaussian distribution of the barrier heights.     

Gated photoluminescence study of oxide-free InP MIS structure having an ultrathin silicon interface control layer

In order to investigate the effectiveness of a novel oxide-free surface passivation approach for InP, using an ultrathin silicon interface control layer (Si ICL), gated photoluminescence characteristics of the Si₃N₄/Si ICL/n-InP metal–semiconductor–insulator (MIS) structure were studied at room temperature. As compared with gated PL spectra of Si₃N₄/n-InP MIS without Si ICL, PL intensities of the sample with Si ICL were much more strongly modulated by the gate voltage. The interface state density distribution was estimated by an optical analog of the Terman’s C–V analysis and a good agreement with the C–V analysis was obtained. The result indicates complete removal of Fermi level pinning over the entire bandgap in the novel oxide-free MIS structure.     

Surface structure analysis based on the exclusive use of the specular LEED spot – a theoretical study

The exclusive use of the specularly reflected beam (the (0,0) spot) may be a more practical way of collecting data for a LEED I–V structure analysis under certain experimental conditions. In this paper we discuss the special properties of the (0,0) spot intensity and test its sensitivity towards structural changes for the model system CO/Ni(1 1 1) within the framework of a R factor analysis. It is found that the (0,0) spot can, indeed, be used for a reliable structure determination if the energy range is increased by collecting data at different polar and azimuthal angles of incidence. The R factor contrast is, however, reduced with respect to a conventional LEED I–V analysis.