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  • 1
    Electronic Resource
    Electronic Resource
    Effects of traps on charge storage characteristics in metal-oxide-semiconductor memory structures based on silicon nanocrystals (1998)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 84 (1998), S. 2358-2360 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Charge storage characteristics have been investigated in metal-oxide-semiconductor memory structures based on silicon nanocrystals, where various interface traps and defects were introduced by thermal annealing treatment. The observations demonstrate that traps have strong influence on the charge storage behavior, in which the traps and defects at the internal/surface of silicon nanocrystals and the interface states at the SiO2/Si substrate play different roles, respectively. It is suggested that the injected charges are mainly stored at the deep traps of nanocrystals instead of the conduction band in long-term retention mode. The long-term charge-loss process is dominantly determined by the direct tunneling of the trapped charges to the interface states in the present experiment. An optimum way to improve the retention time would be to introduce a certain number of deep trapping centers in nanocrystals and to decrease the interface states at SiO2/Si substrate. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.368346
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  • 2
    Electronic Resource
    Electronic Resource
    On temperature dependence of the optically active behavior of an infrared active defect in silicon (1995)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 66 (1995), S. 1945-1947 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Optically active behaviors of the infrared active defect, so-called higher order bands, have been investigated at different temperatures in fast neutron irradiated silicon. It is found that the optically active decay follows logarithmic time dependence with a decay time of about 105 s, which is nearly temperature independent below 80 K. The residual absorption remains up to heating temperatures of 180 K. The experimental findings are discussed in terms of the relaxation characteristic of photoexcited carriers governed by neutron irradiation induced defect clusters. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.113285
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  • 3
    Electronic Resource
    Electronic Resource
    A theoretical study of the structure, bonding, and vibrational frequency shifts of the H2–HF complex (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 5120-5127 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451705
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  • 4
    Electronic Resource
    Electronic Resource
    Electrical properties of ammonia and the structure of the ammonia dimer (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 2077-2083 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451151
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  • 5
    Electronic Resource
    Electronic Resource
    Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactions (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 2720-2725 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450347
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  • 6
    Electronic Resource
    Electronic Resource
    The stabilities of the hydrogen fluoride trimer and tetramer (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 5032-5036 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Ab 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: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450652
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  • 7
    Electronic Resource
    Electronic Resource
    The effects of basis set selection on the vibrational transition frequencies obtained from SCF and correlated wave functions for an uncomplicated molecule, LiH (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 5877-5881 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451549
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  • 8
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    Strong correlation between oxygen vacancy and ferromagnetism in Yb-doped ZnO thin films (2014)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2014-12-31
    Description: Zn 1−x Yb x O (0 ≤ x ≤ 0.02) thin films have been prepared by inductively coupled plasma enhanced physical vapor deposition method. All the Yb-doped ZnO thin films show room-temperature ferromagnetism. The correlation between oxygen vacancy and magnetism in Yb-doped ZnO thin films is studied. It is found that Yb irons initially substitute for Zn sites when x ≤ 0.01 and then enter the interstitial sites of ZnO with increasing Yb concentration of x 〉 0.01. The ferromagnetism is induced by the coexistence of oxygen vacancy and Yb point defects. A strong correlation between oxygen vacancy and saturation magnetization is observed.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Published by American Institute of Physics (AIP)
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