ICLAS of HDO between 13,020 and 14,115 cm

The high resolution absorption spectrum of monodeuterated water, HDO, has been recorded by Intracavity Laser Absorption Spectroscopy (ICLAS) in the 13,020–14,115 cm⁻¹ region dominated by the 4ν₃ band. The achieved noise equivalent absorption (α_min10⁻⁹ cm⁻¹) allowed detecting transitions with line strengths as small as 2×10⁻²⁷ cm/molecule which is about 10 times lower than the smallest line intensities previously detected in the region.The rovibrational assignment of the spectrum was based on the results of the variational calculations of Schwenke and Partridge (SP) as well as recent calculations using a new potential energy surface performed by Voronin, Tolchenov and Tennyson (VTT). 2157 transitions involving 21 upper vibrational states were assigned to HD¹⁶O while only four bands were previously reported in the region. A set of 157 new energy levels could be derived. It includes rotational levels of several highly excited bending states, in particular the (0 11 0) pure bending state. For some states like the (1 0 3) and (0 2 3) Fermi dyad, effective Hamiltonian modelling was needed to establish the vibrational assignments of some rotational levels. VTT calculations were found to significantly improve the SP results, the rms deviation of the calculated and observed energies being decreased from 0.23 to 0.06 cm⁻¹.Finally, 79 transitions of the 4ν₃ band of the HD¹⁸O isotopologue were assigned, leading to the derivation of 48 levels, which are the most excited energy levels reported so far for this isotopologue.     

High-resolution infrared and theoretical study of four fundamental bands of gaseous 1,3,4-oxadiazole between 800 and 1600 cm

The Fourier transform infrared spectrum of gaseous 1,3,4-oxadiazole, C₂H₂N₂O, has been recorded in the 800–1600 cm⁻¹ wavenumber region with a resolution around 0.0030 cm⁻¹. The four fundamental bands ν₉(B₁; 852.5 cm⁻¹), ν₁₄(B₂; 1078.5 cm⁻¹), ν₄(A₁; 1092.6 cm⁻¹), and ν₂(A₁; 1534.9 cm⁻¹) are analyzed by the standard Watson model. Ground state rotational and quartic centrifugal distortion constants are obtained from a simultaneous fit of ground state combination differences from three of these bands and previous microwave transitions. Upper state spectroscopic constants are obtained for all four bands from single band fits using the Watson model. The ν₄ and ν₁₄ bands form a c-Coriolis interacting dyad, and the two bands are analyzed simultaneously by a model including first and second order Coriolis resonance using the ab initio predicted Coriolis coupling constant . An extended local resonance in ν₂ is explained as higher order b-Coriolis type resonance with ν₆ + ν₁₀, which is further perturbed globally by the ν₁₅ + ν₁₀ level. A fit of selected low-J transitions to a triad model including ν₂(A₁), ν₆ + ν₁₀(B₁), and ν₁₅ + ν₁₀(A₂) using an ab initio calculated Coriolis coupling constant is performed.The rotational constants, ground state quartic centrifugal distortion constants, anharmonic frequencies, and vibration–rotational constants (α-constants) predicted by quantum chemical calculations using a cc-pVTZ and TZ2P basis with B3LYP methodology, are compared with the present experimental data, where there is generally good agreement. A complete set of anharmonic frequencies and α-constants for all fundamental levels of the molecule is given.     

Correlation between structural and electrical properties of InN thin films prepared by molecular beam epitaxy

The strain-relaxation phenomena and the formation of a dislocation network in 2H-InN epilayers during molecular beam epitaxy are reported. The proposed growth model emphasizes the dominant role of the coalescence process in the formation of a dislocation network in 2H-InN. Edge type threading dislocations and dislocations of mixed character have been found to be the dominating defects in wurtzite InN layers. It is demonstrated that these dislocations are active suppliers of electrons and an exponential decay of their density with the thickness implies a corresponding decay in the carrier density. Room temperature mobility in excess of 1500 cm² V ⁻¹ s⁻¹ was obtained for 800 nm thick InN layers with dislocation densities of 3×10⁹ cm⁻².     

Infrared spectra of two isomers of OCS–C2H2 and OCS–C2D2 in the region of OCS ν1 fundamental

Infrared spectra of OCS–C₂H₂ and OCS–C₂D₂ complexes in the region of the C–O stretching fundamental of OCS (2060 cm⁻¹) are studied in a pulsed supersonic slit-jet expansion using a tunable diode laser. For each complex, two bands are observed and assigned to distinct near-parallel and the T-shaped isomers. Ground state parameters were previously determined from microwave studies, so analysis of the infrared spectra gives information on the vibrational shifts upon complex formation as well as rotational and centrifugal distortion parameters for the excited states. All four bands show a red shift with respect to the monomer band origin, with the T-shaped isomer having a much larger shift than the near-parallel isomer. Disappearance of the T-shaped isomer when argon is used as a carrier gas supports the notion that the near-parallel isomer is the lowest energy form of the complex.     

High-resolution synchrotron far-infrared spectroscopy of acrolein: The vibrational levels below 700 cm

The far-infrared spectrum of acrolein, CH₂CHCHO, is studied in the 100–360 cm⁻¹ region using continuum radiation from a synchrotron source. The combination of a very high resolution spectrometer, a long absorption path, and a low sample pressure, yields observed line widths of less than 0.0008 cm⁻¹. Observation of the ν₁₈ (157.9 cm⁻¹), and ν₁₃ (323.8 cm⁻¹) fundamental bands, together with six hot bands in the same regions, gives information on eight low-lying vibrational states of the molecule, including the Fermi and Coriolis interactions among them. Combining the present assignments with previous data on the ν₁₂ (564.34 cm⁻¹) and ν₁₇ (593.08 cm⁻¹) fundamental bands, all ten excited vibrational levels below 700 cm⁻¹ are analyzed in terms of one 1-state fit, two 2-state fits, and one 5-state fit.     

Blue cathodoluminescence from thulium implanted AlxGa1−xN and InxAl1−xN

Room temperature cathodoluminescence (RTCL) was obtained from Tm implanted Al_xGa_1−xN with different AlN contents (in the range 0≤x≤0.2) and from implanted In_xAl_1−xN with different InN contents (x=0.13 and 0.19) close to the lattice match with GaN. The Tm³⁺ emission spectrum depends critically on the host material. The blue emission from Al_xGa_1−xN:Tm peaks in intensity for an AlN content of x0.11. The emission is enhanced by up to a factor of 50 times with an increase of annealing temperature from 1000 to 1300 C. The blue emission from In_0.13Al_0.87N:Tm, annealed at 1200 C, is more than ten times stronger than that from Al_xGa_1−xN:Tm, x≤0.2. However, the intensity decreases significantly as the InN fraction increases from 0.13 to 0.19.     

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.     

Electrical characterisation of phosphorus-doped ZnO thin films grown by pulsed laser deposition

Phosphorus-doped ZnO films were grown by pulsed laser deposition using a ZnO:P₂O₅-doped target as the phosphorus source with the aim of producing p-type ZnO material. ZnO:P layers (with phosphorus concentrations of between 0.01 to 1 wt%) were grown on a pure ZnO buffer layer. The electrical properties of the films were characterised from temperature dependent Hall-effect measurements. The samples typically showed weak n-type conduction in the dark, with a resistivity of 70 Ω cm, a Hall mobility of μ_n0.5 cm² V ⁻¹ s⁻¹ and a carrier concentration of n3×10¹⁷ cm⁻³ at room temperature. After exposure to an incandescent light source, the samples underwent a change in conduction from n- to p-type, with an increase in mobility and decrease in concentration for temperatures below 300 K.     

Structure and properties of the one-dimensional cobalt oxide CaCo2O4

We have studied crystal structure and transport properties of the quasi one-dimensional cobalt oxide CaCo₂O₄. The CaCo₂O₄ phase crystallizes in calcium-ferrite type structure, which consists of a corner- and edge-shared CoO₆ octahedron network including one-dimensional double chains. Large thermoelectric power (S  150 μV/K at 390 K) with metallic temperature dependence of S, moderate resistivity (ρ  2.9 × 10⁻¹ Ω cm at 390 K) with carrier localization at low temperature, and normal thermal conductivity (κ  6.3 W/Km at 390 K) were observed. The phonon mean-free path was calculated from the observed data, as a function of temperature. The long phonon mean-free path (l  24 Å at 300 K) implies that the thermal conductivity could be suppressed by impurity scattering of phonons with partial element substitution.     

Electrical and optical characteristics of various PPV derivatives (MEH-PPV, CzEH-PPV, OxdEH-PPV)

To investigate the electrical characteristics of polymer based light emitting diode (LED) devices, we fabricated the hole transport device (HTD) and the electron transport device (ETD). The ITO and Au with high work function were used as electrodes for the HTD, and the Al and Li:Al with low work function were used for the ETD. The active layer materials were poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylene vinylene] (MEH-PPV), poly[2-(N-carbazolyl)-5-(2-ethylhexyloxy)-1,4-phenylene vinylene] (CzEH-PPV), and poly[2-(4-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole-5(2-ethylhexoxy)-1,4-phenylene vinylene] (OxdEH-PPV). We measured the current density–applied field (J–E) characteristics of the HTD and ETD with various thickness at different temperatures. The results of the J–E curves were analyzed by using tunneling model, space charge limited conduction (SCLC) model, etc. In the SCLC model, the mobility of the hole and the electron of MEH-PPV is 10⁻⁶ and 10⁻⁸ cm²/Vs, respectively. For CzEH-PPV and OxdEH-PPV, the hole mobility is similar to the value of the electron mobility with 10⁻¹⁰ cm²/Vs. The luminescent efficiency of CzEH-PPV or OxdEH-PPV is higher than that of MEH-PPV. The results of photoconductivity of the systems qualitatively agrees with the result of the electrical measurement. We analyze that the balance of the electron and the hole mobility plays an important role for the efficiency of the LEDs.     

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.     

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.     

High resolution FTIR spectroscopy of pentafluoroethane: perturbations in the Coriolis doublet of ν4 and ν13

The FTIR spectrum of pentafluoroethane (R125) was measured in the mid infrared region from 900 to 4000 cm⁻¹. Vibrational assignments for R125 are revised by comparison of previous and current experimental data with ab initio calculations at both the MP2/6-311+(d,p) and B3LYP/TZV+(3df,3p) levels of theory. High resolution FTIR spectra were recorded at room temperature and in an enclosive flow cell at a rotational temperature of 140 K. The cold spectrum was sufficiently resolved to enable rovibrational analyses of the overlapping ν₄ (1200.7341 cm⁻¹) and ν₁₃ (1223.3 cm⁻¹) bands, which have a/c hybrid and b-type character, respectively. Ground state combination differences were used to confirm assignment of 2375 lines to ν₄ (J_max = 86, K_{a max} = 50) and 2921 lines to ν₁₃ (J_max = 60, K_{a max} = 54). Effective rotational and centrifugal distortion constants were determined for ν₄, and the polarization ratio was found to be . Severe Coriolis perturbations prevent any satisfactory fit to the ν₁₃ band.     

Analysis of the ν9/ν10 band system of allene

The infrared spectrum of allene has been recorded with high resolution (0.002-0.004 cm⁻¹) on a Fourier transform instrument in the region 730 to 1170 cm⁻¹ containing the perpendicular bands, ν₉ and ν₁₀. A total of 21 subbands with KΔK ranging from −6 to +14 have been assigned in the ν₉ band, and 26 subbands with KΔK = −10 to +15 have been assigned in the ν₁₀ band. The bands are affected by a combination of a J_z-Coriolis and a quartic anharmonic interaction between their upper states ν₉ and ν₁₀. In addition, several other more localized perturbations are found in the spectrum. The nature of the interactions responsible for these perturbations is discussed, and five of the strongest perturbations are quantitatively accounted for by constructing a Hamiltonian matrix which includes five different perturbing states and their Coriolis and anharmonic resonances with the ν₉ and ν₁₀ upper states. A set of spectroscopic constants for the ν₉ and ν₁₀ states and for some of the perturbing states is reported.     

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.     

Growth of single crystal PrFeAsO1−y and its characterization

We have successfully grown single crystals of oxygen deficient oxypnictide superconductor PrFeAsO_1−y using high pressure synthesis technique. Typical crystal size is about 600 × 800 × 30 μm³, with its T_c = 44 K. Their resistivity measurements under magnetic field yield the anisotropic factor Γ  5, consistent with previous results on smaller single crystals.     

Ni–Al ohmic contact to p-type 4H-SiC

Investigations on Ni/Al alloys to form ohmic contacts to p-type 4H-SiC are presented in this paper. Different ratios of Ni/Al were examined. Rapid thermal annealing was performed in argon atmosphere at 400 C for 1 min, followed by an annealing at 1000 C for 2 min. In order to extract the specific contact resistance, TLM test structures were fabricated. A specific contact resistance of 3×10⁻⁵ Ω cm² was obtained reproducibly on Al²⁺ implanted p-type layers, having a doping concentration of 1×10¹⁹ cm⁻³. The lowest specific contact resistance value measured amounts to 8×10⁻⁶ Ω cm².     

The Fe3O4 origin of the “Biphase” reconstruction on α-Fe2O3(0 0 0 1)

The so-called Biphase termination on α-Fe₂O₃ has been widely accepted to be a structure with a 40 Å unit supercell composed of coexisting islands of Fe_1−xO and α-Fe₂O₃. Based on thermodynamic arguments and experimental evidence, including transmission electron diffraction, imaging, magnetic and spectroscopic information, it is found that the previously proposed structure model is inaccurate. The actual Biphase structure is instead a layered structure related to the reduction of α-Fe₂O₃ to Fe₃O₄. A model for the Biphase termination is proposed which does not contain islands of Fe_1−xO but instead consists of bulk α-Fe₂O₃ and a Fe₃O₄-derived overlayer. The proposed model is consistent with all current and previously reported experimental findings.     

Unparticle effects on top quark rare decays

In this work we study the flavor changing neutral current (FCNC) decays of the top quark, t→cγ and t→cg, in the framework of the unparticle physics. The Standard Model predictions for the branching ratios of these decays are about 5×10⁻¹⁴, and 1×10⁻¹², respectively. The parameter space of λ, Λ, and d is obtained by taking into account the SM predictions and the results of the simulation performed by the ATLAS Collaboration for the branching ratios of t→cγ and t→cg decays.     

Dilepton mass spectra in collisions at and the contribution from open charm

PHENIX has measured the electron–positron pair mass spectrum from 0 to 8 GeV/c² in p+p collisions at . The contributions from light meson decays to e⁺e⁻ pairs have been determined based on measurements of hadron production cross sections by PHENIX. Within the systematic uncertainty of 20% they account for all e⁺e⁻ pairs in the mass region below 1 GeV/c². The e⁺e⁻ pair yield remaining after subtracting these contributions is dominated by semileptonic decays of charmed hadrons correlated through flavor conservation. Using the spectral shape predicted by PYTHIA, we estimate the charm production cross section to be 544±39(stat)±142(syst)±200(model) μb, which is consistent with QCD calculations and measurements of single leptons by PHENIX.