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  • AIP Publishing  (8)
  • 1985-1989  (8)
  • 1
    Online Resource
    Online Resource
    Tensile stress variations of chemically etched GaAs films grown on Si substrates
    AIP Publishing ; 1988
    In:  Applied Physics Letters Vol. 53, No. 24 ( 1988-12-12), p. 2394-2396
    Details
    In: Applied Physics Letters, AIP Publishing, Vol. 53, No. 24 ( 1988-12-12), p. 2394-2396
    Abstract: Photoluminescence (PL) at 77 K is used to study tensile stress variations in chemically etched stripes of a 3-μm-thick GaAs film grown on Si substrate. The etched patterns consist of 1-mm-long stripes with widths ranging from 100 to 4 μm and 4 μm by 4 μm squares. We observed monotonic shift of PL peaks towards shorter wavelength for decreasing stripe width. In particular, when the width of the stripe is less than 7 μm, tensile stress is essentially uniaxial as evident from the magnitude of shift in PL peaks. The polarization characteristics of the PL spectra of these uniaxially stressed stripes are investigated and found to agree well with theoretical predictions.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    URL: Article
    DOI: 10.1063/1.100241
    RVK:
    UA 1000
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1988
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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  • 2
    Online Resource
    Online Resource
    Mean projected range and range straggling of 50- to 400-keV Hg+ in glass
    AIP Publishing ; 1988
    In:  Journal of Applied Physics Vol. 64, No. 7 ( 1988-10-01), p. 3341-3344
    Details
    In: Journal of Applied Physics, AIP Publishing, Vol. 64, No. 7 ( 1988-10-01), p. 3341-3344
    Abstract: The range profile of Hg+ implanted at energies from 50 to 400 keV in glass was measured by 4He+ Rutherford backscattering. The measured projected ranges are in good agreement with those predicted by the Biersack model. A marked improvement in the range straggling fit is obtained after considering the second-order energy loss.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    URL: Article
    DOI: 10.1063/1.341515
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1988
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 3
    Online Resource
    Online Resource
    Improved counterpoise corrections for the a b   i n i t i o calculation of hydrogen bonding interactions
    AIP Publishing ; 1986
    In:  The Journal of Chemical Physics Vol. 84, No. 5 ( 1986-03-01), p. 2720-2725
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 84, No. 5 ( 1986-03-01), p. 2720-2725
    Abstract: Counterpoise ab initio calculations have been carried out for the hydrogen fluoride dimer using 14 different basis sets. A counterpoise calculation evaluates the stability contribution arising from just the mutual basis set enlargement of bringing two species into proximity. Using this stability contribution to correct the total interaction energy does not always improve reliability. Furthermore, counterpoise corrections have been found to be misleadingly small in certain cases, suggesting greater reliability than is warranted. The problem is that the counterpoise correction should be the stability contribution arising from the mutual basis set enlargement in the description of the perturbed rather than the isolated bonding partners. In hydrogen bonding, much of the perturbation is an electrical polarization of charge. Thus, we have found that more useful counterpoise correction values are obtained by employing a perturbing charge field. This charge field is approximately that which would arise from the species that is absent in the counterpoise evaluation.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.450347
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 4
    Online Resource
    Online Resource
    The stabilities of the hydrogen fluoride trimer and tetramer
    AIP Publishing ; 1986
    In:  The Journal of Chemical Physics Vol. 84, No. 9 ( 1986-05-01), p. 5032-5036
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 84, No. 9 ( 1986-05-01), p. 5032-5036
    Abstract: A b initio calculations have been carried out to determine the dissociation pathways for the hydrogen fluoride trimer and tetramer that are accessible with single photon excitation of an HF stretching vibration. This requires evaluation of the stabilities of the small HF clusters. Electron correlation effects are found to contribute 1.0 kcal to the stability of the trimer, compared to 0.5 kcal for the dimer. The equilibrium stabilities with respect to dissociation into monomers are 4.6 kcal for the dimer, 14 kcal for the trimer, and 25 kcal for the tetramer. With zero-point vibrational effects, single photon vibrational excitation is sufficient for dissociation of the trimer into three monomers. The orientational structural parameters of the trimer and tetramer, like those of the dimer are found to be well explained by dipole and quadrupole moment interactions.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.450652
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 5
    Online Resource
    Online Resource
    Effect of hydrogen on undoped and lightly Si-doped molecular beam epitaxial GaAs layers
    AIP Publishing ; 1986
    In:  Applied Physics Letters Vol. 48, No. 19 ( 1986-05-12), p. 1291-1293
    Details
    In: Applied Physics Letters, AIP Publishing, Vol. 48, No. 19 ( 1986-05-12), p. 1291-1293
    Abstract: This letter describes a series of experiments in which pure hydrogen gas (at up to 1.2×10−6 Torr partial pressure) was introduced during molecular beam epitaxial (MBE) growth of low-doped and undoped GaAs at a substrate temperature of 580 °C. A major improvement in the electrical properties of the epitaxial layer has been observed. Electron mobilities at 77 K and deep level transient spectroscopy (DLTS) spectra are presented. A sharp increase in electron mobility and a dramatic reduction of M1 and M4 deep electron traps as shown by DLTS have been achieved with small amounts of H2 gas at 1.2×10−6 Torr partial pressure.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    URL: Article
    DOI: 10.1063/1.96956
    RVK:
    UA 1000
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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  • 6
    Online Resource
    Online Resource
    The effects of basis set selection on the vibrational transition frequencies obtained from SCF and correlated wave functions for an uncomplicated molecule, LiH
    AIP Publishing ; 1986
    In:  The Journal of Chemical Physics Vol. 85, No. 10 ( 1986-11-15), p. 5877-5881
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 85, No. 10 ( 1986-11-15), p. 5877-5881
    Abstract: The pattern of sensitivity to basis set selection in computed vibrational frequencies of LiH is examined through potential curve calculations at the SCF and at the well-correlated ACCD level. LiH is electronically uncomplicated in the sense that it has only four electrons, and so it affords the best opportunity to isolate basis set effects from lingering correlation features that might not be so completely accounted for in a more complicated molecule. With a very large basis of 64 functions, the transition frequencies are found to be within 2.7 cm−1 for ω0, within 3.3 cm−1 for ω12, and within 3.8 cm−1 for ω23 of measured values. Convergence with respect to basis set size is demonstrated by a decreasing sensitivity to basis enhancement as the largest set is approached. However, small sets can give excellent potential curves if the basis sets maintain a balance in the flexibility on the two atomic centers.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.451549
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 7
    Online Resource
    Online Resource
    A theoretical study of the structure, bonding, and vibrational frequency shifts of the H2–HF complex
    AIP Publishing ; 1986
    In:  The Journal of Chemical Physics Vol. 85, No. 9 ( 1986-11-01), p. 5120-5127
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 85, No. 9 ( 1986-11-01), p. 5120-5127
    Abstract: The complex formed from hydrogen fluoride and the hydrogen molecule has been investigated theoretically in two ways. Large basis, well-correlated ab initio electronic structure calculations have been used to map out regions of the potential energy surface and an electrical interaction model has been used to find the classical intermolecular interaction effects. From the ab initio potential surface, the fundamental vibrational transition frequencies of hydrogen and hydrogen fluoride are predicted to be red shifted by 20 and 15 cm−1, respectively. The Liu and Dykstra theory of vibrational frequency shifts that uses the intermolecular electrical interaction yields shifts of 31 and 19 cm−1, respectively. The equilibrium structure of the molecule is T shaped, a feature that is determined by electrical interaction, and the well depth is around 300 cm−1. A significant fraction of the well-depth results from electron correlation effects.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.451705
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 8
    Online Resource
    Online Resource
    Electrical properties of ammonia and the structure of the ammonia dimer
    AIP Publishing ; 1986
    In:  The Journal of Chemical Physics Vol. 85, No. 4 ( 1986-08-15), p. 2077-2083
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 85, No. 4 ( 1986-08-15), p. 2077-2083
    Abstract: Electrical multipole moments, polarizabilities, and hyperpolarizabilities of ammonia have been calculated with large basis sets through application of derivative Hartree–Fock (DHF) theory. With these properties, the orientational dependence of the electrical interaction between two ammonia molecules has been examined. The electrical interaction model indicates that the orientational angles of the two ammonias with respect to the a-inertial axis are strongly coupled. Internal rotation about the ammonia C3 axes is coupled as well. There are 18 equivalent minimum energy structures for the ammonia dimer and the lowest barrier for inversion is found to be about 250 cm−1. The predicted equilibrium structure differs noticeably from the recently determined experimental structure. Certain of the assumptions used in obtaining the experimental structure, we feel are not justified, in light of the coupling of internal motions apparent in the potential surface.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.451151
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1986
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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