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Series

2004

University of Nebraska at Omaha

Articles 1 - 6 of 6

Full-Text Articles in Physics

Theoretical Study Of The Magnetic Ordering In Rare-Earth Compounds With Face-Centered-Cubic Structure, Chun-Gang Duan, Renat F. Sabirianov, Jianjun Liu, Wai-Ning Mei, Peter A. Dowben, John R. Hardy Nov 2004

Theoretical Study Of The Magnetic Ordering In Rare-Earth Compounds With Face-Centered-Cubic Structure, Chun-Gang Duan, Renat F. Sabirianov, Jianjun Liu, Wai-Ning Mei, Peter A. Dowben, John R. Hardy

Physics Faculty Publications

We present a detailed theoretical study of the magnetic ordering in heavy rare-earth compounds with a face-centered-cubic structure. In addition to the exchange interactions which are counted up to the third nearest neighbors, the effect of the dipolar interactions and magnetic anisotropic effect are also included in our model Hamiltonian. The interactions parameters are obtained from first-principles band-structure calculations by fitting the total energies of different magnetic configurations to the Heisenberg Model. Thus from utilizing the Monte Carlo simulations, we explained the formation of different magnetic structures in the rare-earth compounds.

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L10 Ordered Fept:C Composite Films With (001) Texture, M. L. Yan, Renat F. Sabirianov, Y. F. Xu, X Z. Li, David J. Sellmyer Jul 2004

L10 Ordered Fept:C Composite Films With (001) Texture, M. L. Yan, Renat F. Sabirianov, Y. F. Xu, X Z. Li, David J. Sellmyer

Physics Faculty Publications

Highly textured (001) FePt:C nanocomposite thin films, deposited directly on thermally oxidized Si wafers, are obtained by multilayer deposition plus subsequent thermal annealing. Nanostructures, crystalline orientations, interactions, and magnetic properties are investigated by transmission electron microscopy (TEM), X-ray diffraction (XRD), magnetic force microscopy, and magnetic measurements. The formation of the ordered L10 phase is confirmed by XRD, and only visible (00 ) peaks indicate a high degree of the (001) texture. TEM observation reveals that FePt grains are embedded in the C matrix and appear to be well isolated.

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Simulations Of Ferroelectric Polymer Film Polarization: The Role Of Dipole Interactions, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, John R. Hardy, Stephen Ducharme, Peter A. Dowben Jun 2004

Simulations Of Ferroelectric Polymer Film Polarization: The Role Of Dipole Interactions, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, John R. Hardy, Stephen Ducharme, Peter A. Dowben

Physics Faculty Publications

We present a systematic study of the dipole alignment in the polyvinylidene fluoride (PVDF) films using first-principles total energy calculations. The ground state of a single layer film is a state with all the dipoles lying parallel to the film plane. This can also be explained by a dipole-dipole interaction model. The induced mirror charges on conducting substrates or substrates with a non-negligible dielectric response play an important role in aligning the polarization perpendicular to the film. From fitting the ab initio calculations, we obtain an effective monomer dipole moment of 4.7 x 10−30 C m. This corresponds to …

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Large Dielectric Constant And Maxwell-Wagner Relaxation In Bi2/3cu3ti4o12, Jianjun Liu, Chun-Gang Duan, Wei-Guo Yin, Wai-Ning Mei, Robert W. Smith, John R. Hardy Jan 2004

Large Dielectric Constant And Maxwell-Wagner Relaxation In Bi2/3cu3ti4o12, Jianjun Liu, Chun-Gang Duan, Wei-Guo Yin, Wai-Ning Mei, Robert W. Smith, John R. Hardy

Physics Faculty Publications

We studied frequency and temperature dependences of impedance, electric modulus, and dielectric permittivity of Bi2/3Cu3Ti4O12 in the ranges of 10−1–106 Hz and −150–200 °C, respectively. We first observed two electrical responses in the impedance and modulus formalisms. Then we detected a Debye-like relaxation in the permittivity formalism. Most interestingly, we found that the large dielectric constant of Bi2/3Cu3Ti4O12 is independent of the temperature and frequency below 150°C. The results are interpreted in terms of a two-layer model with conducting grains partitioned from each other by poorly conducting grain boundaries. Using this model, we attributed the two electrical responses in impedance …

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Electronic Properties Of Nacdf3: A First-Principles Prediction, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, Wei-Guo Yin, John R. Hardy, Robert W. Smith, M. J. Mehl, L. L. Boyer Jan 2004

Electronic Properties Of Nacdf3: A First-Principles Prediction, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, Wei-Guo Yin, John R. Hardy, Robert W. Smith, M. J. Mehl, L. L. Boyer

Physics Faculty Publications

Based on first-principles total energy calculations, we predict that NaCdF3 could be formed in a ferroelectric crystal structure. Using a symmetry guided search with structure optimization, we found two ferroelectric structures, nearly degenerate in energy, competing for the ground state: a rhombohedral structure with space group R3c and an orthorhombic structure with space group Pna21. The energies of both structures are '60 meV lower than the sum of those of the constituents, NaF and CdF2, implying chemical stability.

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Superionicity In Na3Po4: A Molecular Dynamics Simulation, Wei-Guo Yin, Jianjun Liu, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, John R. Hardy Jan 2004

Superionicity In Na3Po4: A Molecular Dynamics Simulation, Wei-Guo Yin, Jianjun Liu, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, John R. Hardy

Physics Faculty Publications

Fast ionic conduction in solid Na3PO4 is studied by use of molecular dynamics simulation based on the modified Lu-Hardy approach. We obtain reasonable agreement with experiment for the structural transition and diffusion of the sodium ions. All the sodium ions are found to contribute comparably to the high ionic conductivity. The results of the simulation are discussed in terms of the relative magnitude of the two proposed transport mechanisms: percolation and paddle-wheel. It appears to us that the percolation mechanism dominates the sodium diffusion.

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