Influence of surface cleaning effects on properties of Schottky diodes on 4H-SiC

Ir/4H-SiC and IrO₂/4H-SiC Schottky diodes are reported in terms of different methods of surface pretreatment before contact deposition. In order to find the effect of surface preparation processes on Schottky characteristics the SiC wafers were respectively cleaned using the following processes: (1) RCA method followed by buffered HF dip. Next, the surface was oxidized (5.5 nm oxide) using a rapid thermal processing reactor chamber and circular geometry windows were opened in the oxide layer before metallization deposition; (2) the same as sequence (1) but with an additional in situ sputter etching step before metallization deposition; (3) cleaning in organic solvents followed by buffered HF dip. The I-V characteristics of Schottky diodes were analyzed to find a correlation between extracted parameters and surface treatment. The best results were obtained for the sequence (1) taking into account theoretical value of Schottky barrier height. The contacts showed excellent Schottky behavior with ideality factors below 1.08 and barrier heights of 1.46 eV and 1.64 eV for Ir and IrO₂, respectively. Very promising results were obtained for samples prepared using the sequence (2) taking into account the total static power losses because the modified surface preparation results in a decrease in the forward voltage drop and reverse leakage current simultaneously. The contacts with ideality factor below 1.09 and barrier height of 1.02 eV were fabricated for Ir/4H-SiC diodes in sequence (2).     

High-resolution photoemission studies of the interfacial reactivity and interfacial energetics of Au and Cu Schottky barriers on methyl-terminated Si(1 1 1) surfaces

The Schottky junction formation by the stepwise evaporation of gold and copper, respectively, onto methyl-terminated silicon, CH₃-Si(1 1 1), was investigated by synchrotron X-ray photoelectron spectroscopy. During the junction formation process, interface reactions occurred as revealed by the appearance of chemically shifted Si 2p components. Upon deposition of Au, the formation of about one monolayer of gold silicide, SiAu₃, with a Si 2p chemical shift of +0.75(2) eV, was observed. The SiAu₃ floated on top of the growing gold layer. Similarly, for the deposition of Cu, the methyl termination layer was partially disrupted, as indicated by the appearance of a −0.28(2) eV chemically shifted Si 2p component attributable to an interfacial copper silicide phase, SiCu₃. Hence, the termination of the Si(1 1 1) surface by methyl groups did not completely prevent interfacial reactions, but did reduce the amount interfacial reaction products as compared to bare Si(1 1 1)-(7 × 7) surfaces.Electron Schottky barrier heights of 0.78(8) eV (Au) and 0.61(8) eV (Cu) were measured. Within the experimental uncertainty the observed Schottky barriers were identical to those ones obtained on non-passivated, (7 × 7)-reconstructed Si(1 1 1) surfaces. Thus, the modification of the electronic properties of the silicon-metal contact requires the complete absence of interfacial reactions.     

Effects of chemical treatment on barrier height and ideality factors of Au/GaN Schottky diodes

We have studied Au/n-GaN Schottky barrier diodes. GaN surfaces have been prepared by cleaning in HCl and (NH₄)₂S prior to metal deposition. The zero-biased barrier heights and ideality factors obtained from the current-voltage characteristics differ from diode to diode, although all the samples were prepared identically. The statistical analysis for the reverse bias C-V data yielded mean value of (1.35±0.04) eV for Schottky barrier height of HCl treated sample and (1.20±0.03) eV for (NH₄)₂S sample, where 9 dots were considered from each cleaning method. It was found that the barrier height values obtained from the C⁻²-V (1.43 eV) and I-V characteristics (0.89 eV) are different from each other by 0.54 eV. The inhomogeneous barrier heights were found to be related to the effect of the high series resistance on diode parameters (Akkiliç et al., 2004) [1].     

Effect of thickness and porous structure of SiC layers on the spectral response of the Pd/SiC-pSi Schottky photodiodes

In this work, we study the effect of the thickness and porous structure of silicon carbide (PSC) layers on the electrical properties of Schottky photodiodes by using a palladium (Pd) layer deposited on non-porous silicon carbide (SiC) and porous-SiC (PSC) layers. The non-porous and porous-SiC layers were realized on a p-type silicon (Si(1 0 0)) substrate by pulsed laser deposition using a KrF laser (248 nm) and thermal deposition of a thin Pd layer. The porous structure of the SiC layer deposited was developed by an electrochemical (anodization) method. The electrical measurements were made at room temperature (295 K) in an air ambience. The effect of the porous surface structure and the thickness of the SiC layer were investigated by evaluating electrical parameters such as the ideality factor (n) and barrier height (?_Bp). The thickness of the porous layer significantly affects the electrical properties of the Schottky photodiodes. Analysis of current-voltage (I-V) characteristics showed that the forward current might be described by a classical thermal emission theory. The ideality factor determined by the I-V characteristics was found to be dependent on the SiC thickness a value For a thin SiC layer (0.16 μm) n was around 1.325 with a barrier height 0.798 eV, while for a thick layer (1.6 μm), n and ?_Bp were 1.026 and 0.890 eV, respectively for Pd/SiC-pSi. These results indicate Schottky photodiodes with high performance are obtained for thicker SiC layer and for thin layer of PSC. This effect showed the uniformity of the SiC layer. In the same case the ideality factor (n) decreases for Pd/PSC-pSi(1 0 0) for low SiC thickness by report of Pd/PSC-pSi(1 0 0) Schottky photodiodes, but for Pd/PSC-pSi(1 0 0) n increase for large SiC thickness layer. We notice that the barrier height (?_Bp) was reversely depend by report of ideality factor. A spectral response value of (SR) of 34 mA/W at λ = 400 nm was measured for Pd/0.16 μm SiC-pSi Schottky photodiode with low SiC thickness. On the other hand, a value of SR = 0.14 mA/W at λ = 900 nm was obtained when we used PSC layer (Pd/PSC-pSi(1 0 0)). A reverse behaviour occurs for thicker SiC layer. Finally, it was found that the thickness and surface porous structure have strong effect on sensitivity.     

The electrical properties of metal-oxide-semiconductor devices fabricated on the chemically etched n-InP substrate

The electrical properties of the Cu/n-InP and Al/n-InP Schottky barrier diodes (SBDs) with and without the interfacial oxide layer have been investigated by using current-voltage (I-V) measurements. The oxide layer on chemically cleaned indium phosphide (InP) surface has been obtained by exposure to water vapor at 1 ml/min at 200 °C before metal evaporation. The chemical composition of surface oxides grown on the InP is investigated using X-ray photoelectron spectroscopy (XPS). Phosphorus is present as In(PO₃)₃, InPO₄, P₂O₅ and P₄O₁₀. The values of 0.437 ± 0.007 and 0.438 ± 0.003 eV for the barrier height of the reference Cu/n-InP and Al/n-InP SBDs were obtained, respectively. Furthermore, the values of 0.700 ± 0.030 and 0.517 ± 0.023 eV for the barrier height of the oxidized Cu/n-InP and Al/n-InP SBD were obtained, respectively. The transport properties of the metal-semiconductor contacts have been observed to be significantly affected by the presence of the interfacial oxide layer. Devices built on the oxidized surfaces show improved characteristics compared with those built on chemically cleaned surfaces. The chemical reactivity of the metal with oxide and n-InP is important to the formation of the Schottky barriers. The reactive metal Al gave a low barrier height due to the reduction of oxide and reaction with InP. The transmission coefficients for the oxidized Cu/n-InP and Al/n-InP are equal to 2.23 × 10⁻⁵ and 4.60 × 10⁻², respectively.     

Low energy Ar-ion bombardment effects on the CeO2 surface

The structure and electronic properties of epitaxial grown CeO₂(1 1 1) thin films before and after Ar⁺ bombardment have been comprehensively studied with synchrotron radiation photoemission spectroscopy (SRPES). Ar⁺ bombardment of the surface causes a new emission appearing at 1.6 eV above the Fermi edge which is related to the localized Ce 4f¹ orbital in the reduced oxidation state Ce³⁺. Under the condition of the energy of Ar ions being 1 keV and a constant current density of 0.5 μA/cm², the intensity of the reduced state Ce³⁺ increases with increasing time of sputtering and reaches a constant value after 15 min sputtering, which corresponds to the surface being exposed to 2.8 × 10¹⁵ ions/cm². The reduction of CeO₂ is attributed to a preferential sputtering of oxygen from the surface. As a result, Ar⁺ bombardment leads to a gradual buildup of an, approximately 0.69 nm thick, sputtering altered layer. Our studies have demonstrated that Ar⁺ bombardment is an effective method for reducing CeO₂ to CeO_2−x and the degree of the reduction is related to the energy and amount of Ar ions been exposed to the CeO₂ surface.     

Current-voltage characteristics of Au/GaN/GaAs structure

Au/GaN/n-GaAs structure has been fabricated by the electrochemically anodic nitridation method for providing an evidence of achievement of stable electronic passivation of n-doped GaAs surface. The change of the electronic properties of the GaAs surface induced by the nitridation process has been studied by means of current-voltage (I-V) characterizations on Schottky barrier diodes (SBDs) shaped on gallium nitride/gallium arsenide structure. Au/GaN/n-GaAs Schottky diode that showed rectifying behavior with an ideality factor value of 2.06 and barrier height value of 0.73 eV obeys a metal-interfacial layer-semiconductor (MIS) configuration rather than an ideal Schottky diode due to the existence of GaN at the Au/GaAs interfacial layer. The formation of the GaN interfacial layer for the stable passivation of gallium arsenide surface is investigated through calculation of the interface state density N_ss with and without taking into account the series resistance R_s. While the interface state density calculated without taking into account R_s has increased exponentially with bias from 2.2×10¹² cm⁻² eV⁻¹ in (E_c−0.48) eV to 3.85×10¹² cm⁻² eV⁻¹ in (E_c−0.32) eV of n-GaAs, the N_ss obtained taking into account the series resistance has remained constant with a value of 2.2×10¹² cm⁻² eV⁻¹ in the same interval. This has been attributed to the passivation of the n-doped GaAs surface with the formation of the GaN interfacial layer.     

Effect of surface preparation on the properties of Au/p-Cd1−xZnxTe

The effect of bromine methanol (BM) etching and NH₄F/H₂O₂ passivation on the Schottky barrier height between Au contact and semi-insulated (SI) p-Cd_1−xZn_xTe (x ≈ 0.09-0.18) was studied through current-voltage (I-V) and capacitance-voltage (C-V) measurements. Near-infrared (NIR) spectroscopy technique was utilized to determine the Zn concentration. X-ray photoelectron spectroscopy (XPS) for surface composition analysis showed that BM etched sample surface left a Te⁰-rich layer, however, which was oxidized to TeO₂ and the surface [Te]/([Cd] + [Zn]) ratio restored near-stoichiometry after NH₄F/H₂O₂ passivation. According to I-V measurement, barrier height was 0.80 ± 0.02-0.85 ± 0.02 eV for Au/p-Cd_1−xZn_xTe with BM etching, however, it increased to 0.89 ± 0.02-0.93 ± 0.02 eV with NH₄F/H₂O₂ passivation. Correspondingly, it was about 1.34 ± 0.02-1.43 ± 0.02 eV and 1.41 ± 0.02-1.51 ± 0.02 eV by C-V method.     

Effect of erbium interlayer on nickel silicide formation on Si(1 0 0)

To reveal the influence of erbium interlayer on the formation of nickel silicide and its contact properties on Si substrate, Er(0.5-3.0 nm) and Ni(20 nm) are successively deposited onto Si(1 0 0) substrate and are treated by rapid thermal annealing in pure N₂ ambient. The NiSi formation temperature is found to increase depending on the Er interlayer thickness. The formation temperature of NiSi₂ (700 °C) is not influenced by Er addition. But with 2 nm Er interlayer, the formed NiSi₂ is observed textured with preferred orientation of (1 0 0). During the formation of NiSi, Er segregates to the surface and little Er remains at the NiSi/Si(1 0 0) interface. Therefore, the Schottky barrier height of the formed NiSi/n-Si(1 0 0) contact is measured to be 0.635 ∼ 0.665 eV which is nearly invariable with different Er addition.     

Metal-support interactions in systems palladium deposited on oxidized tungsten surfaces

The morphology of the palladium (Pd) overlayers on oxidized tungsten (W) tips has been studied by Field Emission Microscopy (FEM). The effect of thermal treatment on the interaction of Pd with the support and chemisorption of CO on variously treated Pd-containing samples has been investigated. The results are discussed in relation to complementary macroscopic experiments by synchrotron radiation excited photoelectron spectroscopy (SRPES) and thermally programmed desorption (TPD) of carbon monoxide (CO) on a polycrystalline W foil. A distinct influence of support pre-oxidation on the Pd layer growth has been demonstrated. Two types of oxidized supports have been used: tungsten with oxygen pre-adsorbed at room temperature (RT) and then heated to 700 K (WO_x/W (RT) system) and tungsten oxidized at 1300 K (WO_x/W (1300 K) system) in situ. The surface of WO_x/W (1300 K) sample is fully oxidized in contrast to WO_x/W (RT), where the presence of un-oxidized patches has been demonstrated by SRPES measurements. A Pd layer grows on the WO_x/W (RT) surface mostly on the densely populated planes (1 1 0) and (2 1 1) of the W tip. Heating of this system up to 700 K results in disaggregation of the original Pd layer. Pd clusters on the tungsten tip oxidized at 1300 K are localized on the atomically rough (1 1 1) plane. The observed differences in CO adsorption on the aforementioned types of investigated samples can be attributed to differences in the chemical nature of their surfaces.     

Temperature-dependent optical absorption measurements and Schottky contact behavior in layered semiconductor n-type InSe(:Sn)

The layered n-InSe(:Sn) single crystal samples have been cleaved from a large crystal ingot grown from non-stoichiometric melt by the Bridgman-Stockbarger method. It has been made the absorption measurements of these samples without Schottky contact under electric fields of 0.0 and 6000 V cm⁻¹. The band gap energy value of the InSe:Sn has been calculated as 1.36 ± 0.01 eV (at 10 K) and 1.28 ± 0.01 eV (at 300 K) under zero electrical field, and 1.31 ± 0.01 eV (at 10 K) and 1.26 ± 0.01 eV (at 300 K) under 6000 Vcm⁻¹. The current-voltage (I-V) characteristics of Au-Ge/InSe(:Sn)/In Schottky diodes have been measured in the temperature range 80-320 K with a temperature step of 20 K. An experimental barrier height (BH) Φ_ap value of about 0.70 ± 0.01 eV was obtained for the Au-Ge/InSe(:Sn)/In Schottky diode at the room temperature (300 K). An abnormal decrease in the experimental BH Φ_b and an increase in the ideality factor n with a decrease in temperature have been explained by the barrier inhomogeneities at the metal-semiconductor interface. From the temperature-dependent I-V characteristics of the Au-Ge/InSe(:Sn)/In contact, that is, and A^* as 0.94 ± 0.02 and 0.58 ± 0.02 eV, and 27 ± 2 and 21 ± 1 (A/cm² K²), respectively, have been calculated from a modified versus 1/T plot for the two temperature regions. The Richardson constant values are about two times larger than the known value of 14.4 (A/cm² K²) known for n-type InSe. Moreover, in the temperature range 80-320 K, we have also discussed whether or not the current through the junction has been connected with TFE.     

In situ XPS study of Pd(1 1 1) oxidation. Part 1: 2D oxide formation in 10 mbar O2

The oxidation of the Pd(1 1 1) surface was studied by in situ XPS during heating and cooling in 3 × 10⁻³ mbar O₂. A number of adsorbed/dissolved oxygen species were identified by in situ XPS, such as the two dimensional surface oxide (Pd₅O₄), the supersaturated O_ads layer, dissolved oxygen and the R 12.2° surface structure.Exposure of the Pd(1 1 1) single crystal to 3 × 10⁻³ mbar O₂ at 425 K led to formation of the 2D oxide phase, which was in equilibrium with a supersaturated O_ads layer. The supersaturated O_ads layer was characterized by the O 1s core level peak at 530.37 eV. The 2D oxide, Pd₅O₄, was characterized by two O 1s components at 528.92 eV and 529.52 eV and by two oxygen-induced Pd 3d_5/2 components at 335.5 eV and 336.24 eV. During heating in 3 × 10⁻³ mbar O₂ the supersaturated O_ads layer disappeared whereas the fraction of the surface covered with the 2D oxide grew. The surface was completely covered with the 2D oxide between 600 K and 655 K. Depth profiling by photon energy variation confirmed the surface nature of the 2D oxide. The 2D oxide decomposed completely above 717 K. Diffusion of oxygen in the palladium bulk occurred at these temperatures. A substantial oxygen signal assigned to the dissolved species was detected even at 923 K. The dissolved oxygen was characterised by the O 1s core level peak at 528.98 eV. The “bulk” nature of the dissolved oxygen species was verified by depth profiling.During cooling in 3 × 10⁻³ mbar O₂, the oxidised Pd²⁺ species appeared at 788 K whereas the 2D oxide decomposed at 717 K during heating. The surface oxidised states exhibited an inverse hysteresis. The oxidised palladium state observed during cooling was assigned to a new oxide phase, probably the R 12.2° structure.     

Luminescence of ZnWO4 and CdWO4 thin films prepared by spray pyrolysis

Thin films of ZnWO₄ and CdWO₄ were prepared by spray pyrolysis and the structural, optical, and luminescence properties were investigated. Both ZnWO₄ and CdWO₄ thin films showed a broad blue-green emission band. The broad band of ZnWO₄ films was centered at 495 nm (2.51 eV) consisted of three bands at 444 nm (2.80 eV), 495 nm (2.51 eV) and 540 nm (2.30 eV). The broad band of CdWO₄ films at 495 nm (2.51 eV) could be decomposed to three bands at 444 nm (2.80 eV), 495 nm (2.51 eV) and 545 nm (2.28 eV). These results are consistent with emission from the WO₆⁶⁻ molecular complex. The luminance and efficiency for ZnWO₄ film at 5 kV and 57 μA/cm² were 48 cd/m² and 0.22 lm/w, respectively, and for CdWO₄ film the values were 420 cd/m² and 1.9 lm/w.     

Bulk and surface properties of spinel Co3O4 by density functional calculations

DFT calculations are employed to bulk and surface properties of spinel oxide Co₃O₄. The bulk magnetic structure is calculated to be antiferromagnetic, with a Co²⁺ moment of 2.631 μ_B in the antiferromagnetic state. There are three predicted electron transitions O(2p) → Co²⁺(t_2g) of 2.2 eV, O(2p) → Co³⁺(e_g) of 2.9 eV and Co³⁺(t_2g) → Co²⁺(t_2g) of 3.3 eV, and the former two transitions are close to the corresponding experimental values 2.8 and 2.4 eV. The naturally occurring Co₃O₄ (1 1 0) and (1 1 1) surfaces were considered for surface calculations. For ideal Co₃O₄ (1 1 0) surfaces, the surface relaxations are not significant, while for ideal Co₃O₄ (1 1 1) surfaces the relaxation of Co²⁺ cations in the tetrahedral sites is drastic, which agrees with the experiment observation. The stability over different oxygen environments for possible ideal and defect surface terminations were explored.     

Electrical characterization and carrier transportation in Hf-silicate dielectrics using ALD gate stacks for 90 nm node MOSFETs

Metal-oxide-semiconductor capacitors (MOSCs) and metal-oxide-semiconductor field-effect transistors (MOSFETs) incorporating hafnium silicate (Hf-silicate) dielectrics were fabricated by using atomic layer deposition (ALD). The electrical properties of these Hf-silicate thin films with various postnitridation annealing (PNA) temperatures were then examined to find the best nitridation condition. It is found that the best conditions to achieve the lowest gate leakage current and best equivalent oxide thickness (EOT) are when PNA is performed at 800 °C in NH₃ ambient for 60 s. To understand the obtained film, carrier transportation mechanisms, the temperature dependence of the leakage current was measured from 300 K to 500 K for both gate injection and substrate injection. The result reveals that the leakage mechanisms involve Schottky emission at high temperature and low electrical field and Poole-Frenkle emission at low temperature and high electrical field. The barrier heights of poly-Si/Hf-silicate and Hf-silicate/Si interfaces extracted from Schottky emission are 1.1 eV and 1.04 eV, respectively. The interface traps per unit area, the mean density of interface traps per area and energy and the mean capture cross-section are determined about 8.1 × 10¹⁰ cm⁻², 2.7 × 10¹¹ cm⁻² eV⁻¹ and 6.4 × 10⁻¹⁵ cm⁻² using charge pumping method.     

Pt interactions with annealed and chemically-etched Nb-doped SrTiO3(0 0 1) surfaces: Metal/oxide surface chemical effects on band bending behavior

XPS and LEED have been used to characterize the interaction of sputter-deposited Pt (maximum coverage <5 ML) with Nb-doped SrTiO₃(0 0 1) surfaces prepared either by annealing in O₂ and then UHV, or by chemical-etching in aqua regia. The annealed surface exhibits an ordered (1 × 1) LEED pattern, with additional diffraction spots and streaks indicating the presence of oxygen vacancies. Increasing Pt coverage results in the decrease of the observed Pt(4f_7/2) binding energy and the uniform shift of the Sr(3d), Ti(2p) and O(1s) levels to smaller binding energies, as expected for Pt cluster growth and surface-to-Pt charge donation on an n-type semiconductor. The etched surface is disordered, and exhibits a hydroxylated surface with a contaminant C film of ∼23 ? average thickness. Pt deposition on the etched surface results in an immediate decrease in the intensity of the OH feature in the O(1s) spectrum, and a uniform shift of the Sr(3d), Ti(2p) and O(1s) levels to larger binding energies with increasing Pt coverage. The observed Pt(4f_7/2) binding energy on the etched surface (∼72 eV) is independent of Pt coverage, and indicates substantial electronic charge donation from the Pt to surface hydroxyl species. The observation of band bending towards higher binding energies upon Pt deposition (behavior normally associated with p-type semiconductors) demonstrates that sub-monolayer quantities of adsorbates can alter metal/oxide interfacial charge transfer and reverse the direction of band bending, with important consequences for Schottky barrier heights and device applications.     

Intrinsic polyatomic defects in Sc2(WO4)3

The intrinsic formation of polyatomic defects in Sc₂(WO₄)₃-type structures is studied by Mott Littleton calculations and Molecular Dynamics simulations. Defects involving the WO₄²⁻ tetrahedron are found to be energetically favorable when compared to isolated W and O defects. WO₄²⁻ Frenkel and (2Sc³⁺, 3WO₄²⁻) Schottky defects exhibit formation energies of 1.23 eV and 1.97 eV, respectively and therefore may occur as intrinsic defects in Sc₂(WO₄)₃ at elevated temperatures. WO₄²⁻ vacancy and interstitial migration processes have been simulated by classical Molecular Dynamics simulations. The interstitial defect exhibits a nearly 10 times higher mobility (with a migration energy of 0.68 eV), than the vacancy mechanism (with a slightly higher migration energy of 0.74 eV) and thus should dominate the overall ionic conduction. Still both models reproduce the experimental activation energy (0.67 eV) nearly within experimental uncertainty.     

Temperature dependent electrical characteristics of Sn/p-Si Schottky diodes

Current-voltage and capacitance-voltage characteristics of Sn/p-Si Schottky diodes measured in the temperature range 80-320 K are presented and analysed. Anomalous strong temperature dependencies of the ideality factor and apparent barrier height were obtained. There was also a considerable difference between the apparent barrier heights obtained from current-voltage and capacitance-voltage characteristics. These anomalies are explained by the domination of the current by a high level of thermionic-field emission, and by the presence of deep levels near the Sn/Si interface, which yield a reduction of free hole concentration and a significant temperature dependence of the charge stored near the metal-semiconductor (MS) interface. The evaluation of temperature dependence of forward current for thermionic-field emission resulted in the following parameters: characteristic energy E₀₀ = 9.8 meV, Schottky barrier height at zero bias Φ_b0 = 0.802 eV, bias coefficient of barrier height β = 0, and effective Richardson constant A* = 37.32 A cm⁻² K⁻².     

Modification of the electronic properties of the TiO2 (1 1 0) surface upon deposition of the ultrathin conjugated organic layers

A few nm thick 3,4,9,10-perylenetetracarboxylic acid dianhydride (PTCDA) and Cu-phthalocyanine (CuPc) overlayers were thermally deposited in situ in UHV onto TiO₂ (1 1 0) surface. Atomic composition of the surfaces under study was monitored using Auger electron spectroscopy (AES). The formation of the interfacial potential barrier and the structure of the unoccupied electronic states located 5-25 eV above the Fermi level (E_F) was monitored using a probing beam of low-energy electrons according to the total current electron spectroscopy (TCS) method. The work function values upon the overlayer deposition changed from 4.6 to 4.9 eV at the PTCDA/TiO₂ (1 1 0) interface and from 4.6 to 4.3 eV at the CuPc/TiO₂ (1 1 0) interface. Band bending in the TiO₂ substrate, molecular polarization in the organic film and changes in the work function due to the change in the surface composition were found to contribute to the formation of the interfacial potential barriers. Oxygen admixture related peaks were observed in the AES and in the TCS spectra of the CuPc overlayers. A mechanism of the transformations in the PTCDA and CuPc overlayers on the TiO₂ (1 1 0) upon elevating temperature from 25 to 400 °C was suggested.     

Valence band and surface core-level shift studies of the oxygen-induced p(3 × 1) reconstruction of the W(1 0 0) surface

Using synchrotron radiation, W 4f_7/2 and valence-band (VB) photoelectron spectroscopy was used to study the oxidation states of the p(3 × 1) reconstructed surface of W(1 0 0) produced by oxygen adsorption at 1500 K. The W 4f_7/2 study showed two features at 0.40 and 1.50 eV higher binding energies relative to the bulk feature which represent shifts to lower binding energies compared to the W 4f_7/2 features of the as-grown oxygen films on W(1 0 0). Co-existence of these features is a characteristic of the formation of the p(3 × 1) structure. The VB studies of this system and as-grown oxygen films at room temperature (RT) showed an oxygen-induced feature for the p(3 × 1) structure for which the peak maximum had shifted by 0.9 eV to higher binding energies compared to the as-grown films. The direction of shifts in the W 4f_7/2 and VB spectra for the p(3 × 1) structure confirmed the reduction of the charge transfer from W to oxygen compared to the as-grown films. A study of the VB changes with photon energy shows that the main component of the oxygen-induced feature in the p(3 × 1) VB at 6.6 ± 0.2 eV is related to a hybridized state between W 5d and O 2p electrons.