Symmetry-adapted tight-binding calculations of the totally symmetric A1 phonons of single-walled carbon nanotubes and their resonant Raman intensity

The atomistic calculations of the physical properties of perfect single-walled carbon nanotubes based on the use of the translational symmetry of the nanotubes face increasing computational difficulties for most of the presently synthesized nanotubes with up to a few thousand atoms in the unit cell. This difficulty can be circumvented by use of the helical symmetry of the nanotubes and a two-atom unit cell. We present the results of such symmetry-adapted tight-binding calculations of the totally symmetric A₁ phonons (the RBM and the G-band modes) and their resonant Raman intensity for several hundred nanotubes.In particular, we show that (1) the frequencies and the resonant Raman intensity of the RBM and the G-band modes show diameter and chirality dependence and family patterns, (2) the strong electron– phonon interactions in metallic nanotubes lead to Kohn anomalies at the zone center, (3) the G-band consists of a subband due to phonons of semiconducting tubes centered at 1593 cm⁻¹, a subband of phonons at 1570 cm⁻¹, and a subband of phonons of metallic tubes at 1540 cm⁻¹. The latter prediction confirms previous theoretical results but disagrees with the commonly adopted assignment of the G-band features.     

Dimensional evolution of silicon nanowires synthesized by Au–Si island-catalyzed chemical vapor deposition

This study explores the nucleation and morphological evolution of silicon nanowires (Si-NWs) on Si (0 0 1) and (1 1 1) substrates synthesized using nanoscale Au–Si island-catalyzed rapid thermal chemical vapor deposition. The Au–Si islands are formed by Au thin film (1.2–3.0 nm) deposition at room temperature followed by annealing at 700 °C, which are employed as a liquid-droplet catalysis during the growth of the Si-NWs. The Si-NWs are grown by exposing the substrates with Au–Si islands to a mixture of gasses SiH₄ and H₂. The growth temperatures and the pressures are 500–600 °C and 0.1–1.0 Torr, respectively. We found a critical thickness of the Au film for Si-NWs nucleation at a given growth condition. Also, we observed that the dimensional evolution of the NWs significantly depends on the growth pressure and temperature. The resulting NWs are 30–100 nm in diameter and 0.4–12.0 μm in length. For Si (0 0 1) substrates 80% of the NWs are aligned along the 1 1 1 direction which are 30° and 60° with respect to the substrate surface while for Si (1 1 1) most of the NWs are aligned vertically along the 1 1 1 direction. In particular, we observed that there appears to be two types of NWs; one with a straight and another with a tapered shape. The morphological and dimensional evolution of the Si-NWs is significantly related to atomic diffusion kinetics and energetics in the vapor–liquid–solid processes.     

Isotopic study of the transition of calcium monomethoxide using laser excitation and population depletion spectroscopy

High resolution excitation spectra have been obtained of the 0–0 band of the transition of four isotopologues, CaO¹²CH₃, CaO¹³CH₃, CaO¹²CD₃ and CaO¹³CD₃ of calcium monomethoxide. The deuterated species were found to have unexpectedly complicated spectra, and definitive rotational assignments were possible only from investigation by optical optical double resonance (OODR) population depletion spectroscopy. This confirmed the assignment of the CaO¹²CD₃ spectrum, and proved crucial in assigning the K-structure and spin components for CaO¹³CD₃. The state was found to be well described by the symmetric rotor model with C_3v symmetry for both hydride species but, for the deuterides, the K-structure and spin rotation splittings were irregular, especially for CaO¹³CD₃ where the K = 0 and 1 levels were heavily perturbed. The changes in the A constant determined for the hydride suggest that the CH₃ umbrella opens by 0.4°, i.e., 0.2° further on excitation to the state than on excitation to the lower-lying state (geometry change established in an earlier experiment by Crozet et al. [P. Crozet, A.J. Ross, C. Linton, A.G. Adam, W.S. Hopkins, R.J. Le Roy, J. Mol. Spectrosc. 229 (2005), 224–230]).     

Integral plug-in RF module in a CO2 hybrid-waveguide laser: Its performance and overall evaluation

This work describes the performance of a compact “in-house built” radio–frequency (RF)-excited CO₂ slab waveguide laser which has the innovation of having a plugged-in RF generator–amplifier module directly connected into the positive electrode of the laser head. The design circuit parameters include a matching circuit and a feed-through element as a whole. The overall laser performance takes into account the waveguide dimension (y-axis) as approximately one-tenth of the free space transverse dimension (x-axis). The optical resonator is calculated to be in the regime of the negative branch for unstable confocal resonators, having focal lengths of and with geometrical amplification of 1.108. Optical output coupling mirror was set to 9.7%. The calculated waveguide length is 37.73 cm whilst the total resonator length was adjusted to 42 cm to allow coupling losses less than 1%. The laser operational efficiency was about 12% and the output beam quality of 1.13 which is close to the ideal Gaussian beam. The optical output power was accomplished by playing with different gas compositions to have a final optimized gas proportion of 1:1:2.7:0.3 correspondingly to CO₂, N₂, He and Xe as admixture.     

Tunneling conductance in a gapped graphene-based superconducting structure: Case of massive Dirac electrons

The tunneling conductance in a NG/SG graphene junction in which the graphene was grown on a SiC substrate is simulated. The carriers in the normal graphene (NG) and the superconducting graphene (SG) are treated as massive relativistic particles. It is assumed that the Fermi energy in the NG and SG are E_FN400 meV and E_FS400 meV+U, respectively. Here U is the electrostatic potential from the superconducting gate electrode. It is seen that the Klein tunneling disappears in the case where a gap exist in the energy spectrum. As U→∞, the zero bias normalized conductance becomes persistent at a minimal value of G/G₀1.2. The normalized conductance G/G₀ is found to depend linearly on U with constant slope of , where is the size of the gap Δ opening up in the energy spectrum of the graphene grown on the SiC substrate. It is found that G/G₀2+αU for potentials in the range −270 meV<U<0 meV and G=0 for potentials U<−270 meV. As α→∞, the conductance for eV=Δ (V is the bias voltage placed across the NG/SG junction) can be approximated by a unit step function G(eV=Δ,U)/G₀2Θ(U). This last behavior indicates that a NG/SG junction made with gapped graphene could be used as a nano switch having excellent characteristics.     

Initial nucleation of Au on the R45° reconstructed Fe3O4(0 0 1) surface

The initial nucleation of Au onto the R45° reconstructed Fe₃O₄(0 0 1) surface has been studied using scanning tunnelling microscopy. Au clusters are formed, with a typical lateral dimension of 0.9 nm. The measured corrugation height of the clusters, 0.1 nm, suggests that they are a single atomic layer in height. The clusters nucleate on a specific surface site, which lies at the centre of a R45° reconstructed unit cell. The size and spatial distribution of the Au clusters formed is shown to strongly correlate to the symmetry and periodicity of the reconstructed magnetite surface. It is also shown that even when the clusters are in close proximity they still only occupy this single nucleation site, and thus maintain the periodicity of the substrate. We relate the order and stability of this system to the fact that magnetite (0 0 1) is polar, and suggest that such surfaces offer ideal templates for self-assembly due to the stability of their polarity induced reconstructions.     

Absolute photoionization cross sections with ultra-high energy resolution for Ar, Kr, Xe and N2 in inner-shell ionization regions

The high-resolution absolute photoionization cross sections for Ar, Kr, Xe and N₂ in the inner-shell ionization region have been measured using a multi-electrode ion chamber and monochromatized synchrotron radiation. The energy ranges of the incident photons for the target gases were as follows: Ar: 242–252 eV (2p Rydberg excitation), Kr: 1650–1770 eV (near the 2p ionization thresholds), Xe: 665–720 eV (near the 3d ionization thresholds) and 880–1010 eV (near the 3p ionization thresholds), N₂: 400–425 eV (N 1s excitation and ionization). It is the first time to measure the absolute ionization cross sections of Ar, Kr, Xe and N₂ over the present energy ranges with the energy resolution of over 10,000. The natural lifetime widths of , , and resonances for Ar, resonance for Xe, and resonance for N₂ have been obtained based on the cross sections determined. The ionization energies into the Ar⁺ (), Ar⁺ () and Xe⁺ () ionic states are also determined using the Rydberg formula.     

Observation of the quantum Hall effect in cleaved InAs surfaces

We have performed the in-plane magnetotransport measurements on the two-dimensional electron gas at the cleaved p-InAs (1 1 0) surface by deposition of Ag. The surface electron density N_s is determined from the Hall coefficient at . The coverage dependence of N_s is well explained by the assumption that each adsorbed Ag atom denotes one electron into InAs until the surface Fermi level reaches the adsorbate-induced donor level. The electron mobility μ is about and does not show a clear dependence on the coverage over . In the high-magnetic field regime of B>1/μ, Shubnikov–de Hass oscillations were observed. A beating pattern due to the strong spin–orbit interaction appears for high N_s. For lower N_s of , an apparent quantum Hall plateau for ν=4 and vanishing of the longitudinal resistivity were observed around .     

Modification of photonic properties in porphyrin-infiltrated opal crystals

Structural, optical and magnetic properties of porphyrin-infiltrated opal hybrid structures were investigated. Bulk samples of synthetic opal were grown by sedimentation technique from colloidal solution of SiO₂ spheres of diameter 250 nm. The structure of the samples was examined by atomic force microscopy. The photonic properties of crystals were investigated by optical measurements in transmission and reflection modes. The stop band was observed in the region 510–550 nm. The photonic properties of synthetic opal crystals were modified by infiltration with aqueous basic solution of iron–porphyrin (FeTPPS) of concentration 1.0 mM. In hybrid samples the absorption bands typical of FeTPPS were observed in the vicinity of the opal stop band. Magnetic properties of FeTPPS-infiltrated opal samples have been studied at 5–300 K in magnetic fields up to 5 T. The FeTPPS-infiltrated opal crystals can be considered as the structures perspective for magnetophotonic devices.     

The observation of hot bands in the 288 nm system of the FeCl2 radical

The 288 nm band system of FeCl₂ has been recorded with a sample produced in a warmed, free-jet expansion at moderately high resolution (with a linewidth of 0.28 cm⁻¹). Under these conditions, several hot bands are observed involving excitation of the symmetric and anti-symmetric stretching vibrations. The wavenumbers determined as a result for FeCl₂ in its ground ⁵Δ_g,4 state are and . No hot, sequence bands in the bending vibration were observed. The most likely explanation is that the wavenumber for ν₂ is essentially the same in both the electronic states involved (88 cm⁻¹). Additional strong hot bands are observed that are unrelated to the previously assigned electronic transitions; they appear to emanate from a low-lying electronic state of FeCl₂.     

Type I quasi-phase-matched blue second harmonic generation with different polarizations in periodically poled LiNbO3

First-order type I quasi-phase-matched (QPM) blue second-harmonic generation was demonstrated in periodically poled LiNbO₃ with period of 14.5 μm using d₃₁. 52 μJ of harmonic blue light at 0.473 μm was generated pumped by 114 μJ 35 ps pulse laser at 0.946 μm at 150 °C with a conversion efficiency of 45.6%. The average conversion efficiencies of 41.3% and 19% were also obtained at 150 °C, respectively, in the conventional first- and third-order QPM blue second-harmonic generation at 0.473 μm. The temperature acceptance bandwidths of 20 mm length periodically poled LiNbO₃ with first-order grating periods of 14.5 and 4.5 μm are 2.0 and 0.9 °C, respectively. The larger acceptance bandwidths and grating period for than those for enhance the frequency conversion efficiency, which shows the polarization dependence of quasi-phase matching.     

Temperature-dependent conductance of quasi-one-dimensional electrons in a novel constricted channel with corrugated interfaces

Transport properties of a novel quasi-ballistic quantum wire field-effect transistor are studied experimentally and then discussed in relation to a theory for dirty Tomonaga–Luttinger (T–L) liquids. The sample was prepared by constricting lithographically an epitaxially grown In_0.1Ga_0.9As/GaAs quantum well channel, whose bottom interface is corrugated by a quasi-periodic array of multi-atomic steps of 20 nm in periodicity. A quasi-one-dimensional channel of about 200 nm in metallurgical width and in length was formed and its conductance parallel to the steps was measured at temperatures between 4 and 0.3 K as a function of gate voltage. Plateau-like structures substantially lower than 2e²/h were observed. The conductance at each gate voltage decreases sensitively as temperature lowers until it gets nearly constant below a critical temperature. These tendencies are found to be qualitatively consistent with the theory of Ogata and Fukuyama for dirty T–L liquids. The temperature dependence above the critical temperature is found to fit quantitatively with the formula of Ogata and Fukuyama, if the parameters are suitably chosen.     

Quantum confinement and interface structure of Si nanocrystals of sizes 3–5 nm embedded in a-SiO2

Spectroscopic ellipsometry and Monte Carlo simulations are employed to answer the fundamental question whether the energy gaps of Si nanocrystals with sizes in the range of 3–5 nm, which are embedded in amorphous silica, follow or deviate from the quantum confinement model, and to examine their interfacial structure. It is shown that the optical properties of these nanocrystals are well described by the Forouhi–Bloomer interband model. Analysis of the optical measurements over a photon-energy range of 1.5–5 eV shows that the gap of embedded nanocrystals with a mean size of 3.9 nm follows closely quantum confinement theory. A large band gap expansion (0.65 eV) compared to bulk Si is observed. The Monte Carlo simulations reveal a non-abrupt interface and a large fraction of interface oxygen bonds. This, in conjunction with the experimental observations, indicates that oxygen states and the chemical disorder at the interface have a negligible influence on the optical properties of the material in this size regime.     

Temperature-tunable nanosecond optical parametric oscillator based on periodically poled

We report a compact quasi-phase-matched optical parametric oscillator (OPO) using periodically poled MgO-doped LiNbO₃ with different grating periods. The OPO is pumped by a diode-pumped passively Q-switched Nd:YAG laser providing 4.8-ns pulses at 5.4-kHz repetition rate. The OPO generates signal and idler wavelengths tunable in the ranges of 1.5– and 2.8–, respectively, by changing the crystal temperature between room temperature and . The temperature-dependent Sellmeier equation for the extraordinary refractive index of MgO-doped LiNbO₃ is modified in the Mid-IR region, which gives an accurate prediction of the experimental temperature-tuning results. The linewidth of the signal wave is in the range of 0.5–1.0 nm without any controlling element.     

Non-Abelian duality from vortex moduli: A dual model of color-confinement

It is argued that the dual transformation of non-Abelian monopoles occurring in a system with gauge symmetry breaking G→H is to be defined by setting the low-energy H system in Higgs phase, so that the dual system is in confinement phase. The transformation law of the monopoles follows from that of monopole-vortex mixed configurations in the system (with a large hierarchy of energy scales, v₁v₂) , under an unbroken, exact color-flavor diagonal symmetry . The transformation property among the regular monopoles characterized by π₂(G/H), follows from that among the non-Abelian vortices with flux quantized according to π₁(H), via the isomorphism π₁(G)π₁(H)/π₂(G/H). Our idea is tested against the concrete models—softly-broken supersymmetric SU(N), SO(N) and USp(2N) theories, with appropriate number of flavors. The results obtained in the semiclassical regime (at v₁v₂Λ) of these models are consistent with those inferred from the fully quantum-mechanical low-energy effective action of the systems (at v₁,v₂Λ).     

Effect of In-content on the optical properties of a-Se films

The optical transmission spectra of amorphous (a-) Se_1−xIn_x films, with x = 0.0, 0.05, 0.18 and 0.35, that prepared by thermal evaporation from their corresponding bulk ingots, are recorded over the spectral region of 500–2500 nm. A simple straight forward procedure proposed by Swanepeol has been applied to determine the two components of the complex refractive index (). The dispersion of is examined in terms of the Wemple and DiDomenico model and is discussed in terms of In-content. An estimation of various optical parameters such as, the optical energy gap (E_g = 1.96–1.33 eV), single oscillator energy (E_o = 3.95–3.16 eV), oscillator dispersion energy (E_d = 22.6–31.6 eV), lattice oscillator strength (E_l = 0.38–0.61 eV) and wavelength at zero material dispersion (λ_c = 2.0569–2.0879 μm) have been given and discussed in relation to the coordination number, hydrostatic density and formed chemical bonds that are introduced in the network of a-Se with the introduction of up to 35 at.% In.     

Theoretical structure and surface energy of the reconstructed {01.2} form of calcite (CaCO3) crystal

Two different reconstructions of the (01.2) face (Ca or CO₃ terminated) of calcite (CaCO₃) were studied: (i) R1 reconstruction: the outermost layer is based on the [0 1 0] × 1/3[2 1 1] rectangular mesh, which is symmetrical with respect to the c glide plane of the crystal, thus fulfilling the 2D symmetry of the face and (ii) R2 reconstruction: the outermost layer is based on a lozenge shaped mesh that does not respect the 2D symmetry of the face.The , , and slabs geometry optimizations of calcite (CaCO₃) were performed either at DFT level or by using empirical potentials; the results obtained with these two different calculation methodologies are in good agreement. With respect to their arrangement in the bulk, the CO₃ groups of the outermost layer are significantly rotated about the crystallographic a-axis and about the normal to the 01.2 plane; further, the thickness of the outermost layer is significantly lower than that of the underneath ones.The surfaces energies (γ) at 0 K, for relaxed and unrelaxed , , and faces, were determined either at DFT level or by using empirical potentials. Independently of the method of calculation employed, the stability order of the relaxed faces is < < < . Concerning the unrelaxed faces, whose energies were evaluated by using empirical potentials only, the stability order is instead < < < ; such different ordering shows the importance of geometry relaxation in the calculation of the surface energy. The values of the relaxed surface energies are , , and erg/cm².     

Double-quantum NMR spectroscopy of P species submitted to very large CSAs

We introduce an original pulse sequence, , which is a block super-cycled sequence employing as basic element a π pulse sandwiched by ‘window’ intervals. This homonuclear dipolar recoupling method allows the efficient excitation of double-quantum coherences between spin-1/2 nuclei submitted to very large chemical shift anisotropy. We demonstrate that this technique can be employed in double-quantum ↔ single-quantum ³¹P homonuclear correlation experiment at high magnetic field (B₀  14 T) and high MAS frequencies (ν_R  30 kHz). The performances of are compared to those of the double-quantum recoupling methods, such as BABA and bracketed fp-RFDR, which were already employed at fast MAS rates. The sequence displays a higher robustness to CSA and offset than the other existing techniques.     

Experimental results of the performance of a laser fiber as a remote sensor of temperature

We present experimental results demonstrating the performance of an erbium-doped silica fiber as a remote temperature sensor. The sensor is based on the fluorescence intensity-ratio change of two spectral bands as a function of temperature in the wavelength interval from 515 to 570 nm. We apply a radiometric analysis to the fluorescence spectrum that we have measured to determine the optimal spectral bands to use in the power ratio of the sensor. The spectral bands used in the power ratio, with best performance, are 525–535 nm/555–565 nm, with a signal–noise ratio of 57 and 56 dB, respectively. The sensor sensitivity is about , and the resolution is approximately .