The hydrogen bond: a molecular beam microwave spectroscopist's view with a universal appeal

In this manuscript, we propose a criterion for a weakly bound complex formed in a supersonic beam to be characterized as a `hydrogen bonded complex'. For a `hydrogen bonded complex', the zero point energy along any large amplitude vibrational coordinate that destroys the orientational preference for the hydrogen bond should be significantly below the barrier along that coordinate so that there is at least one bound level. These are vibrational modes that do not lead to the breakdown of the complex as a whole. If the zero point level is higher than the barrier, the `hydrogen bond' would not be able to stabilize the orientation which favors it and it is no longer sensible to characterize a complex as hydrogen bonded. Four complexes, Ar-2-H2O, Ar-2-H2S, C2H4-H2O and C2H4-H2S, were chosen for investigations. Zero point energies and barriers for large amplitude motions were calculated at a reasonable level of calculation, MP2(full)/aug-cc-pVTZ, for all these complexes. Atoms in molecules (AIM) theoretical analyses of these complexes were carried out as well. All these complexes would be considered hydrogen bonded according to the AIM theoretical criteria suggested by Koch and Popelier for C-H center dot center dot center dot O hydrogen bonds (U. Koch and P. L. A. Popelier, J. Phys. Chem., 1995, 99, 9747), which has been widely and, at times, incorrectly used for all types of contacts involving H. It is shown that, according to the criterion proposed here, the Ar-2-H2O/H2S complexes are not hydrogen bonded even at zero kelvin and C2H4-H2O/H2S complexes are. This analysis can naturally be extended to all temperatures. It can explain the recent experimental observations on crystal structures of H2S at various conditions and the crossed beam scattering studies on rare gases with H2O and H2S.

Design and fabrication of an indigenous molecular beam ultraviolet photoelectron spectrometer

An ultraviolet photoelectron spectrometer for the study of van der Waals molecules has been designed and fabricated indigenously. The spectrometer consists of an HeI discharge lamp, a molecular beam sample inlet system, an electrostatic lens, a 180-degrees hemispherical electrostatic analyser and a channeltron detector. Performance of the spectrometer is illustrated with an example.

H2O-CH4 and H2S-CH4 complexes: a direct comparison through molecular beam experiments and ab initio calculations

New molecular beam scattering experiments have been performed to measure the total ( elastic plus inelastic) cross sections as a function of the velocity in collisions between water and hydrogen sulfide projectile molecules and the methane target. Measured data have been exploited to characterize the range and strength of the intermolecular interaction in such systems, which are of relevance as they drive the gas phase molecular dynamics and the clathrate formation. Complementary information has been obtained by rotational spectra, recorded for the hydrogen sulfide-methane complex, with a pulsed nozzle Fourier transform microwave spectrometer. Extensive ab initio calculations have been performed to rationalize all the experimental findings. The combination of experimental and theoretical information has established the ground for the understanding of the nature of the interaction and allows for its basic components to be modelled, including charge transfer, in these weakly bound systems. The intermolecular potential for H2S-CH4 is significantly less anisotropic than for H2O-CH4, although both of them have potential minima that can be characterized as `hydrogen bonded'.

Structural, Electrical, And Optical Properties Of Inasxsb1-X Epitaxial Films Grown By Liquid-Phase Epitaxy

The InAsxSb1-x films were grown on (100) GaSb substrates by liquid-phase epitaxy, and their structural, electrical, and optical properties were investigated. The high-resolution x-ray diffraction results reveal that the single crystalline InAsxSb1-x films with a midrange composition are epitaxially grown on the GaSb substrates. Temperature dependence of the Hall mobility was theoretically modeled by considering several predominant scattering mechanisms. The results indicate that ionized impurity and dislocation scatterings dominate at low temperatures, while polar optical phonon scattering is important at room temperature (RT). Furthermore, the InAsxSb1-x films with the higher As composition exhibit the better crystalline quality and the higher mobility. The InAs0.35Sb0.65 film exhibits a Hall mobility of 4.62x10(4) cm(2) V-1 s(-1). The cutoff wavelength of photoresponse is extended to about 12 mu m with a maximum responsivity of 0.21 V/W at RT, showing great potential for RT long-wavelength infrared detection. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2989116]

InAs0.3Sb0.7 films grown on (100) GaSb substrates with a buffer layer by liquid-phase epitaxy

The growth of InAsxSb1-x films on (100) GaSb substrates by liquid-phase epitaxy (LPE) has been investigated and epitaxial InAs0.3Sb0.7 films with InAs0.9Sb0.09 buffer layers have been successfully obtained. The low X-ray rocking curve FHWM values of InAs0.3Sb0.7 layer shows the high quality of crystal-orientation structure. Hall measurements show that the highest electron mobility in the samples obtained is 2.9 x 10(4) cm(2) V-1 s(-1) and the carrier density is 2.78 x 10(16)cm(-3) at room temperature (RT). The In As0.3Sb0.7 films grown on (10 0) GaSb substrates exhibit excellent optical performance with a cut-off wavelength of 12 mu m. (c) 2007 Elsevier B.V. All rights reserved.

Structural, electrical, and optical properties of InAsxSb1-x epitaxial films grown by liquid-phase epitaxy

The InAsxSb1-x films were grown on (100) GaSb substrates by liquid-phase epitaxy, and their structural, electrical, and optical properties were investigated. The high-resolution x-ray diffraction results reveal that the single crystalline InAsxSb1-x films with a midrange composition are epitaxially grown on the GaSb substrates. Temperature dependence of the Hall mobility was theoretically modeled by considering several predominant scattering mechanisms. The results indicate that ionized impurity and dislocation scatterings dominate at low temperatures, while polar optical phonon scattering is important at room temperature (RT). Furthermore, the InAsxSb1-x films with the higher As composition exhibit the better crystalline quality and the higher mobility. The InAs0.35Sb0.65 film exhibits a Hall mobility of 4.62x10(4) cm(2) V-1 s(-1). The cutoff wavelength of photoresponse is extended to about 12 mu m with a maximum responsivity of 0.21 V/W at RT, showing great potential for RT long-wavelength infrared detection. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2989116]

Defects around self-organized InAs quantum dots measured by slow positron beam

Self-organized InAs quantum dots (QDs) have been fabricated by molecular beam epitaxy. The authors try to use a slow positron beam to detect defects in and around self-organized QDs, and point defects are observed in GaAs cap layer above QDs. For the self-organized InAs QDs without strain-reducing layer, it is free of defects. However, by introducing a strain-reducing layer, the density of point defects around larger sized InAs QDs increased. The above results suggest that low energy positron beam measurements may be a good approach to detect depth profiles of defects in QD materials. (c) 2007 American Institute of Physics.

Evolution of InAs nanostructures grown by droplet epitaxy

The authors report the growth evolution of InAs dot and ring nanostructures with the indium deposition amount on GaAs (001) by droplet molecular beam epitaxy. There is a critical flux for the indium to form InAs dots even when there is no droplet. When the flux exceeds a critical value, In droplets form, which act as nucleation centers for the formation of InAs rings. (C) 2007 American Institute of Physics.

Liquid-phase-epitaxy-grown InAsxSb1-x/GaAs for room-temperature 8-12 mu m infrared detectors

High-quality InAsxSb1-x (0 < x <= 0.3) films are grown on GaAs substrates by liquid phase epitaxy and electrical and optical properties of the films are investigated, revealing that the films exhibit Hall mobilities higher than 2x10(4) cm(2) V-1 s(-1) and cutoff wavelengths longer than 10 mu m at room temperature (RT). Photoconductors are fabricated from the films, and notable photoresponses beyond 8 mu m are observed at RT. In particular, for an InAs0.3Sb0.7 film, a photoresponse of up to 13 mu m with a maximum responsivity of 0.26 V/W is obtained at RT. Hence, the InAsxSb1-x films demonstrate attractive properties suitable for room-temperature, long-wavelength infrared detectors. (c) 2006 American Institute of Physics.

GdxSi grown with mass-analyzed low energy dual ion beam epitaxy technique

Semiconducting gadolinium silicide GdxSi samples were prepared by mass-analyzed low-energy dual ion beam epitaxy technique. Auger electron spectroscopy depth profiles indicate that the gadolinium ions are implanted into the single-crystal silicon substrate and formed 20 nm thick GdxSi film. X-ray double-crystal diffraction measurement shows that there is no new phase formed. The XPS spectra show that one type of silicon peaks whose binding energy is between that of silicide and silicon dioxide, and the gadolinium peak of binding energy is between that of metal Gd and Gd2O3. All of these results indicate that an amorphous semiconductor is formed. (C) 2002 Elsevier Science B.V. All rights reserved.

MnSi similar to 1.73 grown on silicon with mass-analyzed low energy dual ion beam epitaxy technique

Semiconducting manganese silicide, Mn27Si47 and Mn15Si26, were obtained using mass-analyzed low energy dual ion beam epitaxy technique, Auger electron spectroscopy depth profiles showed that some of the Mn ions were deposited on single-crystal silicon substrate and formed a 37.5 nm thick Mn film, and the other Mn ions were successfully implanted into the Si substrate with the implantation depth of 618 nm. Some samples were annealed in the atmosphere of flowing N-2 at 840 degreesC. X-ray diffraction measurements showed that the annealing was beneficial to the formation of Mn27Si47 and Mn15Si26 (C) 2001 Published by Elsevier Science B.V.

Threshold reduction in strained-layer InGaAs/GaAs quantum well lasers by liquid phase epitaxy regrowth

When liquid phase epitaxy regrowth at 780 degrees C for 2 h is applied to the samples after molecular beam epitaxy, a decrease of the threshold current density in strained InGaAs/GaAs quantum well lasers by a factor of 3 to 4 is obtained. We suggest that this improvement is attributed to the reduction of nonradiative centers associated with deep levels at the three regions of the active region, the graded layer and the cladding layer. Indeed, a significant reduction of deep center densities has been observed by using minority and majority carrier injection deep level transient spectroscopy measurements. (C) 1998 Elsevier Science B.V. All rights reserved.

The growth and characterization of GaN grown on an Al2O3 coated (001)Si substrate by metalorganic vapor phase epitaxy

Single crystal GaN films have been grown on to an Al2O3 coated (001)Si substrate in a horizontal-type low-pressure MOVPE system. A thin Al2O3 layer is an intermediate layer for the growth of single crystal GaN on to Si although it is only an oriented polycrystal him as shown by reflection high electron diffraction. Moreover, the oxide was not yet converted to a fully single crystal film, even at the stage of high temperature for the GaN overlayer as studied by transmission electron microscopy. Double crystal X-ray diffraction showed that the linewidth of (0002) peak of the X-ray rocking curve of the 1.3 mu m sample was 54 arcmin and the films had heavy mosaic structures. A near band edge peaking at 3.4 eV at room temperature was observed by photoluminescence spectroscopy. (C) 1998 Elsevier Science B.V. All rights reserved.

Identification of induced reaction during XPS depth profile measurements of CeO2/Si films grown by ion beam epitaxy

An anomalous behavior was observed in X-ray photoelectron Spectroscopy (XPS) depth profile measurements conducted on CeO2/Si epilayers grown by ion beam epitaxy (IBE): the signals of Ce3+ and Ce4+ co-exist, and the ratio between them increases during the etching time and then tends to maintain a constant level before increasing again. The results of X-ray Diffraction (XRD), Auger Electron Spectroscopy (AES), and Rutherford Back-Scattering (RES) measurements proved that the reduction chemical reaction of CeO2 is induced by ion-etching. (C) 1998 Elsevier Science Ltd. All rights reserved.