Laser-induced thermal desorption mass spectrometry of functionalized silicon surfaces

Functionalization of materials and laser patterning of chemisorbed layers play an increasing role in tailoring and structuring surface properties on the nanoscale. An attractive method of investigating organic functionalizations is laser-induced thermal desorption (LITD). The analysis of well-defined H- and D-terminated Si(1 1 1)-(1 × 1):H(D) surfaces was used to quantify the LITD technique. Moreover, oxidized silicon surfaces were functionalized with trimethylsilyl (TMS) and (3,3,3-trifluoropropyl)-dimethylsilyl (TFP) hydrophobic end groups. The samples were irradiated normal to the surface with focused XeCl laser pulses. The desorbed species were monitored at an oblique angle and their time-of-flight (TOF) distributions were measured with a quadrupole mass analyzer. The TOF temperatures of silicon were calibrated for different laser pulse energies by desorption of H₂ and D₂. In the LITD experiments, the desorption of trimethylsilanol groups was observed for TMS terminations, indicating that essentially the whole molecule desorbs from the surface. The TOF data could be fitted to Maxwellian distributions, providing the desorption yield of the emitted species, their mass, and temperature. On the other hand, several characteristic fragments were found for the TFP-terminated surface. The TOF distributions indicate that the fragments detected with the analyzer derived from different desorbed species.     

Conductance quantization of an ideal Sharvin contact

Thorough calculations of the conductance of an idealized quantum point contact are presented. The point contact is modelled as a configuration in which two conductive half-spaces are separated by a non-conductive planar screen with a circular window of a given radius a. The screen is considered as opaque for the electrons with the exception of the window. From the viewpoint of the electrical conduction, the half-spaces are interpreted as leads which are perfectly coalesced with one another across the window. We assume that the leads are reservoirs of a strongly degenerate gas of electrons. If the leads are made from an n-type degenerate semiconductor, the Fermi wavelength λ_F = 2π/k_F = 2π/(3π²n)^1/3 may be tens of nanometers. The theory of the conductance Γ_S of such a point contact is reconsidered. Within the framework of the approximation that we use assuming that T = 0, we show that the dependence of Γ_S on the variable k_Fa manifests curved steps terminated by singular spikes. Owing to stochastic influences, the spikes should be seen as maxima in measured spectra. We predict that these maxima should demarcate the edges of the steps in the Γ_S vs. k_Fa plot. This prediction is in agreement with the STM observations reported recently by Nagaoka et al. [K. Nagaoka, S. Yaginuma, T. Nagao, T. Nakayama, Phys. Rev. B. 74 (2006) 033310].     

Solvation and chemical reaction of sodium in water clusters

Na_m(H₂O)_n Clusters ( n = 1...200, m = 1...50) are formed in a recently build pick-up arrangement. Preformed water clusters traverse a sodium oven, where sodium atoms are picked up. At low sodium vapour pressure ( < 1×10^-4 mbar) pure Na(H₂O)_n clusters are observed in the mass spectra. At high sodium vapour pressure ( > 1×10^-3 mbar) the water cluster pick up more than 50 Na atoms and reaction products Na(NaOH)_n ( n = 2, 4...50) dominate the mass spectra. The even number of NaOH units in the products indicate that also in a finite cluster the reaction occurs in pairs as in the macroscopic reaction. Received 4 December 2000     

Direct measurement of bonded film thickness of A20H lubricant

Currently the bonded lubricant thickness is measured either by Fourier transform infrared spectroscopy (FTIR) or electron spectroscopy for chemical analysis (ESCA) on the remaining lubricant after using fluorocarbon solvent like Vertrel to rinse off the mobile lubricant from magnetic disk surfaces. As the thickness of the lubricant applied on a disk approaches to its molecular dimension (～10 Å), the current measurement methods face tremendous challenges in achieving the desired levels of accuracy and sensitivity. We propose a new method that makes use of a time-of-flight mass spectrometry (TOF-SIMS) to directly measure the bonded film thickness of A20H lubricant by quantifying the ratio of either the hydroxyl end-group or the phenoxy portion of the cyclotriphosphazene end-group with respect to their respective neighboring backbone fragments. The quantified ratios include C₂F₃/CF₂CH₂OH and C₆F₃O/CF₃C₆H₄ measured in the positive polarity and C₂F₃O/OCF₂CH₂OH, and C₇F₅/CF₃C₆H₄O₂H₂ measured in the negative polarity. The transfer function from the quantified ratios to the bonded lubricant thickness (t) is given in the form of t=α×ln?(100×R _T )?β, where α,β are constants for a selected ratio and R _T represents the quantity of the specific ratio. The results correlate very well with the FTIR method currently used in the measurement of the magnetic media during production (R ²>90). The new method can complete the measurement of the bonded lubricant thickness in a one-step process and it has a much higher spatial resolution at sub-micrometers than that of the FTIR or ESCA with order of a few tens of micrometers in resolution. The quantified ratio obtained from this TOF-SIMS technique makes the imaging of the localized bonded lubricant possible, which can be applied in the magnetic media failure analysis.     

Conductance through analytic constrictions

We study the dependence of the intrinsic conductance of a nanocontact on its shape by using the recursion-transfer-matrix method. Hour-glass, torus, and spherical shapes are defined through analytic potentials, the latter two serving as rough models for ring-like and spherical molecules, respectively. The sensitivity of the conductance to geometric details is analyzed and discussed. Strong resonance effects are found for a spherical contact weakly coupled to electron reservoirs.     

Thermoelectric effects in superconducting nanostructures

We study thermoelectric effects in superconducting nanobridges and demonstrate that the magnitude of these effects can be comparable or even larger than that for a macroscopic circuit. It is shown that a large gradient of the electron temperature can be realistically created on a nanoscale and the masking effects due to spurious magnetic fields can be minimised in nanostructures. For these reasons, nanodevices can provide an interesting possibility to study the thermoelectric effect in superconductors.     

Switching an electrical current with atoms: the reproducible operation of a multi-atom relay

The demonstration of a multi-atom quantum point contact relay is reported, which can be reversibly switched between a quantized conducting ‘on-state’ and an insulating ‘off-state’ by applying an electrochemical control potential to a separate, third electrode, the control or gate electrode. The transition occurs directly from the conducting ‘on-state’ at 5 G₀ (G₀=2e²/h being the conductance quantum) to the insulating ‘off-state’. No stable intermediate levels are observed during the switching process, indicating a reproducible bistable reconfiguration of one single multi-atom contact rather than a deposition and dissolution of different parallel contacts. The results at the same time demonstrate the feasibility and reproducible operation of a configurable electronic device based on a multi-atom contact, which exhibits the functionality of an atomic relay or a transistor, opening intriguing perspectives for electronics and logics on the atomic scale.     

Structure transformation of Ir clusters on Ir surfaces

A small Ir cluster can assume either a one-dimensional linear-chain structure or a two-dimensional island-like structure. We present a study of the energetics of the 1 D to 2 D structure transformation of three-atom Ir clusters on the Ir(111) and (001) surfaces. On the (111) plane, the temperature dependence of the ratio of the probabilities of observing a three-atom cluster in the 1 D and 2 D structures exhibits a simple linear Arrhenius behavior. The 2 D island structure is found to be more stable with the cluster binding energy lower by 0.098±0.004 eV. On the (001) plane, the 1 D chain structure is more stable with the cluster binding energy lower by 0.335±0.015 eV. From these energies, the relative pair interaction at three different bond lengths can be derived. The relative pair potential is found to be non-monotonic in distance dependence. We explain the (1×5) reconstruction of the Ir(001) surface as being caused by the large difference in the pair binding energy of the first and second nearest-neighbor bonds. In addition, we find a significant deviation from the simple linear Arrhenius behavior at low temperatures for the three-atom Ir cluster on the Ir (001) plane, indicating that the entropy factor is temperature dependent.     

Electron transport in a double quantum ring: Evidence of an AND gate

We explore AND gate response in a double quantum ring where each ring is threaded by a magnetic flux ?. The double quantum ring is attached symmetrically to two semi-infinite one-dimensional metallic electrodes and two gate voltages, namely, Va and Vb, are applied, respectively, in the lower arms of the two rings which are treated as two inputs of the AND gate. The system is described in the tight-binding framework and the calculations are done using the Green's function formalism. Here we numerically compute the conductance-energy and current-voltage characteristics as functions of the ring-to-electrode coupling strengths, magnetic flux and gate voltages. Our study suggests that, for a typical value of the magnetic flux ?=?₀/2 (?₀=ch/e, the elementary flux-quantum) a high output current (1) (in the logical sense) appears only if both the two inputs to the gate are high (1), while if neither or only one input to the gate is high (1), a low output current (0) results. It clearly demonstrates the AND gate behavior and this aspect may be utilized in designing an electronic logic gate.     

Accuracy and robustness of clustering algorithms for small-size applications in bioinformatics

The performance (accuracy and robustness) of several clustering algorithms is studied for linearly dependent random variables in the presence of noise. It turns out that the error percentage quickly increases when the number of observations is less than the number of variables. This situation is common situation in experiments with DNA microarrays. Moreover, an a posteriori criterion to choose between two discordant clustering algorithm is presented.