Browsing Zwanziger, Josef W. by Title

Now showing items 3-17 of 17

  • First-principles study of the nuclear quadrupole resonance parameters and orbital ordering in LaTiO3. 

    Zwanziger, J. W.. 2009. "First-principles study of the nuclear quadrupole resonance parameters and orbital ordering in LaTiO3.." Physical Review B: Condensed Matter and Materials Physics 79(3): 0331121-033112/4. doi:10.1103/PhysRevB.79.033112
    The electronic structure of the distorted perovskite LaTiO3 is studied using d.-functional theory, implemented with a projector-augmented wave formalism together with the local-d. approxn. plus Hubbard U-parameter (LDA+U) ...

  • Fractional Quantization of Molecular Pseudorotation in Na-3 

    DELACRETAZ, G., ER GRANT, RL WHETTEN, L. WOSTE, et al. 1986. "Fractional Quantization of Molecular Pseudorotation in Na-3." Physical Review Letters 56(24): 2598-2601. doi:10.1103/PhysRevLett.56.2598
    No abstract available.

  • The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions 

    Journal of Materials Science May 2015, Volume 50, Issue 9, pp 3409-3415
    Scandium trifluoride (ScF3) exists in a cubic ReO3 structure that exhibits negative thermal expansion from 10 to 1100 K, while substituted Sc1−x Y x F3 materials display the same behavior at room temperature but transition ...

  • Measuring the Geometric Component of the Transition-Probability in a 2-Level System 

    ZWANZIGER, JW, SP RUCKER, and GC CHINGAS. 1991. "Measuring the Geometric Component of the Transition-Probability in a 2-Level System." Physical Review a 43(7): 3232-3240. doi:10.1103/PhysRevA.43.3232
    We describe the measurement of a component of the nonadiabatic transition probability in a two-level system that depends only on the path through parameter space followed by the Hamiltonian, and not on how fast the path ...

  • Mechanical–Structural Investigation of Ion-Exchanged Lithium Silicate Glass using Micro-Raman Spectroscopy 

    Mechanical–Structural Investigation of Ion-Exchanged Lithium Silicate Glass using Micro-Raman Spectroscopy Courtney Calahoo, J. W. Zwanziger, and Ian S. Butler The Journal of Physical Chemistry C 2016 120 (13), 7213-7232 DOI: 10.1021/acs.jpcc.6b01720
    Micro-Raman spectroscopy was used to determine the structural modifications occurring in a simple ion-exchanged glass. The base lithium silicate composition 30Li2O–70SiO2 was studied as it underwent ion exchange, Li+ ↔ K+, ...

  • Nanoindentation Study of the Surface of Ion-Exchanged Lithium Silicate Glass 

    Nanoindentation Study of the Surface of Ion-Exchanged Lithium Silicate Glass Courtney Calahoo, Xiaofang Zhang, and J. W. Zwanziger The Journal of Physical Chemistry C 2016 120 (10), 5585-5598 DOI: 10.1021/acs.jpcc.6b00733
    Variations in mechanical properties (stiffness and hardness) were measured as a function of case depth in ion-exchange glasses using nanoindentation. A simple silicate composition, 30Li2O–70Si2O, was exchanged (Li+ ↔ K+) ...

  • Non-Abelian Effects in a Quadrupole System Rotating Around 2 Axes 

    ZWANZIGER, JW, M. KOENIG, and A. PINES. 1990. "Non-Abelian Effects in a Quadrupole System Rotating Around 2 Axes." Physical Review a 42(5): 3107-3110. doi:10.1103/PhysRevA.42.3107
    No abstract available.

  • Phonon dispersion and Gruneisen parameters of zinc dicyanide and cadmium dicyanide from first principles: Origin of negative thermal expansion. 

    Zwanziger, J. W.. 2007. "Phonon dispersion and Gruneisen parameters of zinc dicyanide and cadmium dicyanide from first principles: Origin of negative thermal expansion.." Physical Review B: Condensed Matter and Materials Physics 76(5): 0521021-052102/4. doi:10.1103/PhysRevB.76.052102
    Zinc dicyanide, Zn(CN)2, and the isostructural cadmium dicyanide show neg. thermal expansion over a broad range of temps. By the use of d. functional theory calcns., we det. the phonon dispersion curves of these materials ...

  • Relating 139La Quadrupolar Coupling Constants to Polyhedral Distortion in Crystalline Structures 

    Relating 139La Quadrupolar Coupling Constants to Polyhedral Distortion in Crystalline Structures Alexander L. Paterson, Margaret A. Hanson, Ulrike Werner-Zwanziger, and Josef W. Zwanziger The Journal of Physical Chemistry C 2015 119 (45), 25508-25517 DOI: 10.1021/acs.jpcc.5b09122
    A broad series of crystalline lanthanum oxide-based materials has been investigated through high-field 139La solid state nuclear magnetic resonance (ssNMR) spectroscopy and ab initio density functional theory (DFT) ...

  • Sodium distribution in sodium tellurite glasses probed with spin-echo NMR 

    Zwanziger, JW, JC McLaughlin, and SL Tagg. 1997. "Sodium distribution in sodium tellurite glasses probed with spin-echo NMR." Physical Review B 56(9): 5243-5249. doi:10.1103/PhysRevB.56.5243
    We present results on the spatial distribution of sodium cations in sodium tellurite glasses as a function of sodium oxide content, obtained using a spin-echo NMR experiment. Glasses were studied with sodium oxide content ...

  • Structure and Disorder of Phosphates in Ag2o-Agi-P2o5 Glasses 

    ZWANZIGER, JW, KK OLSEN, and SL TAGG. 1993. "Structure and Disorder of Phosphates in Ag2o-Agi-P2o5 Glasses." Physical Review B 47(21): 14618-14621. doi:10.1103/PhysRevB.47.14618
    We directly probe the microstructure of the different phosphates in several glasses in the Ag2O-AgI-P2O5 system, by means of variable angle correlation NMR spectroscopy. This two-dimensional experiment separates the ...

  • Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix 

    Saumitra Saha, T.Z. Todorova, J.W. Zwanziger, Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix, Acta Materialia, Volume 89, 1 May 2015, Pages 109-115, ISSN 1359-6454, http://dx.doi.org/10.1016/j.actamat.2015.02.004
    The lattice coherency and critical radii for Al3X precipitates in an aluminum matrix were computed using first-principles methods. From density functional perturbation theory and the quasi-harmonic approximation, the unit ...

  • Thermal, vibrational, and thermoelastic properties of Y2Mo3O12 and their relations to negative thermal expansion 

    Phys. Rev. B 90, 024305
    Y2 Mo3O12, a material that exhibits negative thermal expansion (NTE) from 10 to 1173 K, offers an excellent opportunity to examine relationships between NTE and other physical properties over a wide temperature range. We ...

  • Topological constraints and the Makishima–Mackenzie model 

    M. Plucinski, J.W. Zwanziger, Topological constraints and the Makishima–Mackenzie model, Journal of Non-Crystalline Solids, Volume 429, 1 December 2015, Pages 20-23, ISSN 0022-3093, http://dx.doi.org/10.1016/j.jnoncrysol.2015.08.029
    Computations of the elastic properties of networks with bond stretch and bond angle bend forces are carried out in order to study their behavior as a function of average coordination number. It is found that the elastic ...

  • Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties 

    Chem. Mater., 2015, 27 (7), pp 2633–2646 DOI: 10.1021/acs.chemmater.5b00429
    The coefficient of thermal expansion of ZrMgMo3O12 has been measured and was found to be extremely close to zero over a wide temperature range including room temperature ( = (1.6 ± 0.2) × 10–7 K–1 from 25 to 450 °C by X-ray ...