Schottky barrier at the Al/Si(111) doped and double-doped interfaces: a local-density cluster study

Using the local-density approximation method we have investigated a cluster model of the Al/Si(111) interface. P atoms were placed in the fifth silicon double-atomic layer (DAL) counting from the interface. The second DAL was doped with either Ga or As. The Schottky barrier height was found to be 0.75 eV at the Al/Si(intrinsic) system and 0.73 eV at the Al/Si(P-doped) case. The additional doping of the near-interface layer by Ga increased the barrier to 0.90 eV while the As doping decreased it to 0.5 eV.     

Barrier-height non-uniformities of PtSi/Si(111) Schottky diodes

The forward current-voltage characteristics of PtSi Schottky contacts on epitaxial n-type Si (111) is studied in the temperature range from 100 to 300 K. A current contribution in excess to that predicted by thermionic emission diffusion theory is caused by a few thousand patches of reduced Schottky barrier height in a device area of 3.14 mm². The typical lateral extent of these patches is 70–250 nm. It correlates with the size of surface bumps observed. The number of patches is reduced upon increasing the silicidation temperature up toT _siI=550°C. Possible non-uniformities of the typical crystallite grain size of 20 nm are not resolved due to effective pinch-off.     

Nonlinear optical spectroscopy of suboxides at oxidized Si(111) interfaces

Native oxidation of the Si(111)(1 x 1)H surface causes the appearance and disappearance of second-harmonic generation (SHG) resonances related to specific bonding configurations of Si atoms at the interface. Resonances at 3.52 eV two-photon energy observed in p-polarized SHG spectra are indicative of a Si suboxide configuration present in a partially oxidized Si surface bilayer. Similar resonances are observed in spectra of thermally oxidized Si(111) and point to Si2+ suboxide states at the buried interface.     

Quantum oscillations in Pb/Si (111) heterostructure system

This paper summarizes our recent work on the study of quantum size effects (QSE) and novel physical properties of the Pb/Si (111) heterostructure. Two different types of samples were investigated. One is wedge-shaped Pb islands, and the other is atomically flat Pb thin films. With scanning tunneling microscopy (STM) manipulation, we observed an intriguing morphology dynamics of the islands that swings between two extreme energy states, like that in a classical pendulum. We show that the dynamics is a result of the competition between the QSE and the classical step free energy minimizing effect. For the second type of the samples, the QSE is studied in terms of thickness-dependent film stability, electronic structure and physical properties by using STM, angle-resolved photoemission spectroscopy (ARPES) and transport measurement. The results consistently reveal the formation of quantum well states (QWS) due to electron confinement in the films. This size effect could greatly modify the electronic structure near the Fermi level and lead to quantum oscillations in superconductivity, electron-phonon coupling and thermal expansion. The work unambiguously demonstrates the possibility of quantum engineering of physical properties of thin films by exploiting well-controlled and thickness-dependent QSE.     

Optical characteristics of an epitaxial Fe3Si/Si(111) iron silicide film

The dispersion of the relative permittivity ? of a 27-nm-thick epitaxial Fe₃Si iron silicide film has been measured within the E = 1.16–4.96 eV energy range using the spectroscopic ellipsometry technique. The experimental data are compared to the relative permittivity calculated in the framework of the density functional theory using the GGA-PBE approximation. For Fe₃Si, the electronic structure and the electronic density of states (DOS) are calculated. The analysis of the frequencies corresponding to the transitions between the DOS peaks demonstrates qualitative agreement with the measured absorption peaks. The analysis of the single wavelength laser ellipsometry data obtained in the course of the film growth demonstrates that a continuous layer of Fe₃Si iron silicide film is formed if the film thickness achieves 5 nm.     

Exchanges between Si and Pb adatoms on Si(111)

Real-time observation by high-temperature scanning tunneling microscopy of exchanges between Si and Pb atoms on a Si(111)-√3 × √3 surface is reported. The exchange rate is obtained as a function of the temperature. The activation energy of the exchange is about 1.2 eV, and the prefactor, shown to depend on the Pb coverage, is from 2 × 10¹⁰ to 8 × 10¹¹ s⁻¹. This prefactor is much larger than that for the exchange between Pb and Ge adatoms on a Ge(111)-c(2 × 8) surface, indicating that the adatom arrangement greatly influences the exchange mechanism. We also report that metastable 9 × 9 reconstruction appears during Pb desorption.     

Current transport in Pd2Si/n-Si(100) Schottky barrier diodes at low temperatures

The forward current-voltage (I–V) characteristics of Pd₂Si/n-Si(100) Schottky barrier diodes are shown to follow the Thermionic Emission-Diffusion (TED) mechanism in the temperature range of 52-295 K. The evaluation of the experimentalI–V data reveals a decrease of the zero-bias barrier height ( _b0) and an increase of the ideality factor () with decreasing temperature. Further, the changes in _b0 and become quite significant below 148 K. It is demonstrated that the findings cannot be explained on the basis of tunneling, generation-recombination and/or image force lowering. Also, the concepts of flat band barrier height and T ₀-effect fail to account for the temperature dependence of the barrier parameters. The 1n(I _s /T ²) vs 1/T plot exhibits nonlinearity below 185 K with the linear portion corresponding to an activat ion energy of 0.64 eV, a value smaller than the zero-bias barrier height energy (0.735 eV) of Pd₂Si/n-Si Schottky diodes. Similarly, the value of the effective Richardson constant A** turns out to be 1.17 × 10⁴ A m^–2 K^–2 against the theoretical value of 1.12 × 10⁶ A m^–2 K^–2. Finally, it is demonstrated that the observed trends result due to barrier height inhomogeneities prevailing at the interface which, in turn, cause extra current such that theI–V characteristics continue to remain consistent with the TED process even at low temperatures. The inhomogeneities are believed to have a Gaussian distribution with a mean barrier height of 0.80 V and a standard deviation of 0.05 V at zero-bias. Also, the effect of bias is shown to homogenize barrier heights at a slightly higher mean value.