Tight-binding investigation of electron tunneling through ultrathin SiO2gate oxides

We investigate electron tunneling through ultrathin gate oxides using scattering theory within a tight-binding framework. We employ Si[100]/SiO₂/Si[100] model junctions with oxide thicknesses between 7 and 18 Å. This approach accounts for the three-dimensional microscopic structure of the model junctions and for the three-dimensional nature of the corresponding complex energy bands. The equilibrium positions of the atoms in the heterostructure are derived from first-principles density-functional calculations. We show that the present method yields qualitative and quantitative differences from conventional effective-mass theory.     

Low sputter damage of metal single crystalline surfaces investigated with medium energy ion scattering spectroscopy

It was observed clearly that the sputter damage due to Ar⁺ ion bombardment on metal single crystalline surfaces is extremely low and the local surface atomic structure is preserved, which is totally different from semiconductor single crystalline surfaces. Medium energy ion scattering spectroscopy (MEIS) shows that there is little irradiation damage on the metal single crystalline surfaces such as Pt(111), Pt(100), and Cu(111), in contrast to the semiconductor Si(100) surfaces, for the ion energy of 3–7 keV even above 10¹⁶–10¹⁷ ions/cm² ion doses at room temperature. However, low energy electron diffraction (LEED) spots became blurred after bombardment. Transmission Electron Microscopy (TEM) studies of a Pt polycrystalline thin film showed formation of dislocations after sputtering. Complementary MEIS, LEED and TEM data show that on sputtered single-crystal metal surfaces, metal atoms recrystallize at room temperature after each ion impact. After repeated ion impacts, local defects accumulate to degrade long range orders.     

Breakdown transients in ultrathin gate oxides: transition in the degradation rate

We report a sharp threshold at 4 V in the growth rate of breakdown spots in thin films of SiO2 on silicon. This provides some of the first information concerning the electronic structure of the breakdown spot.     

Surface hydrogen detection by low energy He ion scattering spectroscopy

Hydrogen adsorbed on a Si(100) surface can be detected by angle-resolved LEIS (low-energy ion scattering spectroscopy) which uses a ⁴He⁺ ion beam with incident energies around 1 keV. The scattering peaks from the surface hydrogen are restricted to narrow scattering angles from 0° to 15°, which is in agreement with those expected by the binary elastic collision model.     

Medium energy ion scattering spectroscopy: Study of germanium amorphization under ion irradiation

An experimental setup for medium energy ion scattering spectroscopy allowing materials elemental composition diagnostics has been developed. A target composed of single-crystalline Ge with a smooth surface and structural inhomogeneity several nanometers thick has been prepared for conducting the experiments. Experiments have shown that the depth resolution of the method was 6 Å.     

Depth-profiling the composition of bimetallic nanoparticles using medium energy ion scattering

The near monolayer depth resolution of medium energy ion scattering is utilized to develop a probe of the depth dependent composition of bimetallic nanoparticles supported on planar oxide supports. The approach fits spectra of scattered ion intensity versus ion energy at well-defined scattering angles taking into account the asymmetric line shape in such spectra and also the depth dependent loss processes encountered by incident ions as they pass through the bimetallic particles.     

Acoustic spectroscopy and electrical characterization of SiO2/Si structures with ultrathin SiO2 layers formed by nitric acid oxidation

Ultrathin silicon dioxide (SiO₂) layers formed on Si substrate with nitric acid have been investigated using both acoustic deep-level transient spectroscopy (A-DLTS) and electrical methods to characterize the interface states. The set of SiO₂/Si structures formed in different conditions (reaction time, concentrations of nitric acid (HNO₃), and SiO₂ thickness [3–9 nm]) was prepared. The leakage current density was decreased by post-oxidation annealing (POA) treatment at 250°C in pure nitrogen for 1 h and/or post-metallization annealing (PMA) treatment at 250°C in a hydrogen atmosphere for 1 h. All structures of the set, except electrical investigation, current-voltage (I - V), and capacitance — voltage (C - V) measurements, were investigated using A-DLTS to find both the interface states distribution and the role of POA and/or PMA treatment on the interface-state occurrence and distribution. The evident decreases of interface states and shift of their activation energies in the structures with PMA treatment in comparison with POA treatment were observed in most of the investigated structures. The results are analyzed and discussed.      

Surface structure of sphalerite studied by medium energy ion scattering and XPS

The reactivity of high-Fe containing sphalerite (Zn_1−xFe_xS), the major source of Zn, is of great interest for industrial applications. Since the initial reactivity depends on the physical and chemical properties of the surface, it is important to understand the structure of cleaved and fractured surfaces. Zn_1−xFe_xS zincblende (1 1 0) oriented samples cleaved in air and in vacuum were studied with medium energy ion scattering (MEIS) in order to study surface relaxation and reconstruction associated with the possible formation of S dimers. The experimental results are presented together with ion scattering Monte Carlo simulations that have been performed using the different models of the surface structure. The MEIS blocking patterns are different for the air- and vacuum-cleaved specimens. Models for the air-cleaved samples found S atoms in the first layer that are relaxed outwards by 0.08 Å and Zn(Fe) atoms relaxed inwards by 0.51 Å, with some lateral translation of both species. Results for the vacuum-cleaved sample indicate S atoms have been displaced laterally by 0.5 Å at the surface. X-ray photoelectron spectroscopic (XPS) measurements provide evidence for a high binding energy species indicative of S-S bonds in the near-surface region that are consistent with the ion scattering structural data for both cleaving protocols.     

Integrity of ultrathin gate oxides with different oxide thickness, substrate wafers and metallic contaminations

The integrity of ultrathin gate oxides was investigated as a function of polished and epitaxial wafer surfaces with various gettering sites. After intentional contamination of wafers with 1×10¹¹ atoms/cm² and 5×10¹² atoms/cm² Cu and Ni by a spin-on technique of high reproducibility, we performed 0.18-μm low-thermal-budget CMOS process runs. Thermal oxides were grown with various gate oxides in the range of 5–17 nm. After a MOS-capacitor fabrication we applied a ramped current-density test to study the gate-oxide integrity. Generally, thinner gate oxides exhibited a much more robust behavior than thicker oxides. The gate-oxide integrity was strongly influenced by different gettering sites. Although a higher Ni contamination led to a higher number of gate-oxide failures, Cu contamination exhibited a higher impact on the gate-oxide integrity than Ni. Received: 12 September 2000 / Accepted: 21 September 2000 / Published online: 22 November 2000     

Surface analysis with low energy ion scattering

Principles and applications of low energy ion scattering for surface analysis are presented. Basic features are the binary collision concept, the scattering cross-sections and the ion neutralization process. The potential and the limitations of the method are outlined. Some pertinent experimental aspects are considered. In a number of examples the performance of the technique is demonstrated for qualitative and quantitative composition analysis and for studies of surface structures. Finally a few comparisons are made with other techniques, such as AES, LEED, or SIMS.     

Investigation of amorphous states of SiO2 by Raman scattering spectroscopy

The vitreous SiO₂ samples irradiated with fast neutrons at a dose of 5×10¹⁷?2.2×10²⁰ per cm² are investigated by the Raman scattering technique. It is demonstrated that the maximum of the low-frequency Raman spectrum (boson peak) shifts with an increase in the irradiation dose, and the medium-range order size decreases from 25 Å for the initial glass to 19 Å for the sample subjected to irradiation at a maximum dose. It is revealed that the fast relaxation intensity obtained from analysis of the low-frequency Raman spectra linearly correlates with the specific volume of the studied samples.     

The growth of ultrathin Au films on Ni{1 1 1}: A study with medium energy ion scattering

The initial growth of Au on Ni{1 1 1} is strongly influenced by the 15.7% difference in bulk lattice parameter between the two fcc metals. At 400 K, the first monolayer of Au grows on the Ni{1 1 1} surface as a (9 × 9) overlayer with 8 Au-Au spacings being equivalent to 9 Ni-Ni spacings. Umezawa et al. [Physical Review B 57 (1998) 8842; Surface Science 426 (1999) 225] reported that the growth of Au overlayers can occur either via a reverse (R)-mode (i.e., incorporating a stacking fault at the Au-Ni interface) or a normal (N)-mode—the relative proportion of each mode being strongly sensitive to growth temperature. Using the technique of medium energy ion scattering, we examine the growth of Au on Ni{1 1 1} at 400 K. We conclude that, at this deposition temperature, there is a preference for growth via the R-mode (74 ± 9%). In addition, we find that the Au overlayer has a considerably higher density than bulk Au being contracted isotropically by 3.1% in the {1 1 1} plane and also by ∼7% perpendicular to the {1 1 1} plane. We discuss possible explanations for our findings.     

The oxidation of Ni(100) studied by medium energy ion scattering

We have used Rutherford backscattering (RBS) in combination with channeling and blocking to study the initial stages of oxidation of the Ni(100) surface at 325 and 415 K. Not only the oxygen coverage as function of exposure has been measured, but also the amount of nickel taking part in the oxidation process, both quantitatively. RBS results for the oxidation at both temperatures are consistent with the lateral growth of NiO islands.     

Two-atom model for the calculation of surface blocking in medium and high energy ion scattering

A two-atom blocking model has been developed to analyze surface blocking patterns recently obtained in medium energy ion scattering experiments. In the model the mean square thermal vibration amplitude of a surface atom can be used as a fitting parameter in comparison with experimental results. Anisotropic surface vibrations have been taken into account by assuming a non-spherical Gaussian probability distribution for the thermal displacement of the surface atom. In addition, some analytical expressions have been derived for the effective nuber of target atoms contributing to the yield of ions backscattered into a blocking direction.     

Multilayer relaxations of Ni(110): New medium energy ion scattering results

Recent ion scattering and LEED measurements of the clean Ni(110) surface structure show a significant difference in the magnitude of the first layer relaxation. Ion scattering has measured the first layer contraction to be 4.5% while LEED I–V analyses have resulted in measurement of an 8.5% contraction. In an attempt to resolve this apparent discrepancy we have undertaken a careful reexamination of the clean Ni(110) surface with medium energy ion scattering using the technique of channeling and blocking. The experiment was conducted in a UHV chamber with a toroidal electrostatic analyzer using 110 keV protons. Our analysis was based on comparisons of measured surface blocking curves in two scattering geometries with full crystal Monte Carlo simulations. These simulations include variations of the interlayer spacing of the outer three surface layers and of the surface Debye temperature. Our measurement shows a first layer contraction, D₁₂ = −9.0% ± 1.0% and a second layer expansion, D₂₃ = +3.5% ± 1.5% (measured as percent of the bulk interlayer spacing) with a surface Debye temperature of 395 K. The present result is in excellent agreement with two recent LEED measurements.     

Velocity scaling of ion neutralization in low energy ion scattering

The ion fraction P+ is measured for He+ ions scattered by 129 degrees from a Cu surface. Both the primary energy and the angles of incidence and of exit are varied. From our results we conclude the following: along the incoming and outgoing trajectories, neutralization is due to Auger processes and depends on the normal velocity component v( perpendicular ) only. At higher energies, additional charge exchange is due to collision induced neutralization and reionization, both depending on the total ion energy only. Also in this regime P+ depends on v( perpendicular ), but via a two-valued function of the scattering geometry at fixed energy.     

The structure of epitaxial V2O3 films and their surfaces: A medium energy ion scattering study

Medium energy ion scattering, using 100 keV H⁺ incident ions, has been used to investigate the growth of epitaxial films, up to thicknesses of ~ 200 Å, of V₂O₃ on both Pd(111) and Au(111). Scattered-ion energy spectra provide a measure of the average film thickness and the variations in this thickness, and show that, with suitable annealing, the crystalline quality is good. Plots of the scattering yield as a function of scattering angle, so-called blocking curves, have been measured for two different incidence directions and have been used to determine the surface structure. Specifically, scattering simulations for a range of different model structures show poor agreement with experiment for half-metal (….V′O₃V) and vanadyl (….V′O₃V=O) terminations, with and without surface interlayer relaxations. However, good agreement with experiment is found for the modified oxygen-termination structure, first proposed by Kresse et al., in which a subsurface V half-metal layer is moved up into the outermost V buckled metal layer to produce a VO₂ overlayer on the underlying V₂O₃, with an associated layer structure of ….O₃VV′′V ′O₃. This result is consistent with the predictions of thermodynamic equilibrium at the surface under the surface preparation conditions, but is at variance with the conclusions of earlier studies of this system that have favoured the vanadyl termination. The results of these previous studies are re-evaluated in the light of the new result.     

Silver sulphide growth on Ag(111): A medium energy ion scattering study

The interaction of S₂ with Ag(111) under ultra-high vacuum conditions has been investigated by medium energy ion scattering (MEIS). 100 keV He⁺ MEIS measurements provide a direct confirmation of a previous report, based on thermal desorption, that the growth of multilayer films of Ag₂S occurs through a continuous corrosion process. These films show a commensurate (√7 × √7)R19° unit mesh in low energy electron diffraction, consistent with the epitaxial growth of (111) layers of the high-temperature F-cubic phase of Ag₂S. The substantial range of co-existing film thicknesses found indicates that the growth must be in the form of variable-thickness islands. The use of 100 keV H⁺ incident ions leads to a very rapid decrease in the sulphide film thickness with increasing exposure that we attribute to an unusual chemical leaching, with implanted H atoms interacting with S atoms and desorption of H₂S from the surface.     

Thermally enhanced neutralization in hyperthermal energy ion scattering

Neutralization probabilities are presented for hyperthermal energy Na+ ions scattered from a Cu(001) crystal as a function of surface temperature and scattered velocity. A large enhancement in neutralization is observed as the temperature is increased. Velocity-dependent charge transfer regimes are probed by varying the incident energy, with the most prominent surface temperature effects occurring at the lowest energies. The data agree well with results obtained from a model based on the Newns-Anderson Hamiltonian, where the effects of both temperature and velocity are incorporated.