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Condensed Matter Physics

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2008

Articles 1 - 6 of 6

Full-Text Articles in Engineering Physics

Low-Energy Antiphase Boundaries, Degenerate Superstructures, And Phase Stability In Frustrated Fcc Ising Model And Ag-Au Alloys, Nikolai A. Zarkevich, Teck L. Tan, Lin-Lin Wang, Duane D. Johnson Apr 2008

Low-Energy Antiphase Boundaries, Degenerate Superstructures, And Phase Stability In Frustrated Fcc Ising Model And Ag-Au Alloys, Nikolai A. Zarkevich, Teck L. Tan, Lin-Lin Wang, Duane D. Johnson

Duane D. Johnson

An Ising model exhibits zero-energy antiphase boundaries (APBs) and frustration on close-packed face-centered cubic (fcc) and triangular lattices. The frustration results in degenerate structures and chains of long-period superstructures forming a quasicontinuous ground-state “hull” in the formation energy versus composition (c) diagram. In alloys, a nonzero but small APB energy yields a c-dependent reduction in this degeneracy that affects the phase diagram topology and range of the two-phase coexistence. Using density functional theory combined with cluster expansions (CEs), we study Ag-Au alloys as a prototype and find the effective cluster interactions (dominated by nearest-neighbor pairs), predict energetics of millions of …

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Predicting Enthalpies Of Molecular Substances: Application To Libh4, Nikolai A. Zarkevich, Duane D. Johnson Feb 2008

Predicting Enthalpies Of Molecular Substances: Application To Libh4, Nikolai A. Zarkevich, Duane D. Johnson

Duane D. Johnson

For molecular substances exhibiting harmonic and nonharmonic vibrations, we present a first-principles approach to predict enthalpy differences between phases at finite temperatures, including solid-solid and melting. We apply it to the complex hydride LiBH4. Using ab initio molecular dynamics, we predict a structure for the high-T solid phase of lithium borohydride, and we propose an approximation to account for nonharmonic vibrations. We then predict the enthalpy changes for solid-solid transition, melting, and an H-storage reaction, all in agreement with experiment.

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Charge Order, Dynamics, And Magnetostructural Transition In Multiferroic Lufe2o4, X. S. Xu, M. Angst, T. V. Brinzari, R. P. Hermann, J. L. Musfeldt, A. D. Christianson, D. Mandrus, B. C. Sales, S. Mcgill, J. -W. Kim, Z. Islam Jan 2008

Charge Order, Dynamics, And Magnetostructural Transition In Multiferroic Lufe2o4, X. S. Xu, M. Angst, T. V. Brinzari, R. P. Hermann, J. L. Musfeldt, A. D. Christianson, D. Mandrus, B. C. Sales, S. Mcgill, J. -W. Kim, Z. Islam

Xiaoshan Xu Papers

We investigated the series of temperature and field-driven transitions in LuFe2O4 by optical and Mossbauer spectroscopies, magnetization, and x-ray scattering in order to understand the interplay between charge, structure, and magnetism in this multiferroic material. We demonstrate that charge fluctuation has an onset well below the charge ordering transition, supporting the ‘‘order by fluctuation’’ mechanism for the development of charge order superstructure. Bragg splitting and large magneto-optical contrast suggest a low-temperature monoclinic distortion that can be driven by both temperature and magnetic field.

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Photoconductivity In Bifeo3 Thin Films, S. R. Basu, L. W. Martin, Y. H. Chu, M. Gajek, R. Ramesh, R. C. Rai, X. S. Xu, J. L. Musfeldt Jan 2008

Photoconductivity In Bifeo3 Thin Films, S. R. Basu, L. W. Martin, Y. H. Chu, M. Gajek, R. Ramesh, R. C. Rai, X. S. Xu, J. L. Musfeldt

Xiaoshan Xu Papers

The optical properties of epitaxial BiFeO3 thin films have been characterized in the visible range. Variable temperature spectra show an absorption onset near 2.17 eV, a direct gap (2.667±0.005 eV at 300 K), and charge transfer excitations at higher energy. Additionally, we report photoconductivity in BiFeO3 films under illumination from a 100 mW/cm2 white light source. A direct correlation is observed between the magnitude of the photoconductivity and postgrowth cooling pressure. Dark conductivities increased by an order of magnitude when comparing films cooled in 760 and 0.1 Torr. Large increases in photoconductivity are observed in light.

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Optical Band Gap Of Bifeo3 Grown By Molecular-Beam Epitaxy, J. F. Ihlefeld, N. J. Podraza, Z. K. Liu, R. C. Rai, X. Xu, T. Heeg, Y. B. Chen, J. Li, R. W. Collins, J. L. Musfeldt, X. Q. Pan, J. Schubert, R. Ramesh, D. G. Schlom Jan 2008

Optical Band Gap Of Bifeo3 Grown By Molecular-Beam Epitaxy, J. F. Ihlefeld, N. J. Podraza, Z. K. Liu, R. C. Rai, X. Xu, T. Heeg, Y. B. Chen, J. Li, R. W. Collins, J. L. Musfeldt, X. Q. Pan, J. Schubert, R. Ramesh, D. G. Schlom

Xiaoshan Xu Papers

BiFeO3 thin films have been deposited on (001) SrTiO3 substrates by adsorption-controlled reactive molecular-beam epitaxy. For a given bismuth overpressure and oxygen activity, single-phase BiFeO3 films can be grown over a range of deposition temperatures in accordance with thermodynamic calculations. Four-circle x-ray diffraction reveals phase-pure, epitaxial films with w rocking curve full width at half maximum values as narrow as 29 arc sec (0.008°). Multiple-angle spectroscopic ellipsometry reveals a direct optical band gap at 2.74 eV for stoichiometric as well as 5% bismuth-deficient single-phase BiFeO3 films.

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Performance Comparison Of Pb(Zr0.52Ti0.48)O3-Only And Pb(Zr0.52Ti0.48)O3-On-Silicon Resonators, Hengky Chandrahalim, Sunil A. Bhave, Ronald G. Polcawich, Jeff Pulskamp, Dan Judy, Roger Kaul, Madan Dubey Jan 2008

Performance Comparison Of Pb(Zr0.52Ti0.48)O3-Only And Pb(Zr0.52Ti0.48)O3-On-Silicon Resonators, Hengky Chandrahalim, Sunil A. Bhave, Ronald G. Polcawich, Jeff Pulskamp, Dan Judy, Roger Kaul, Madan Dubey

Faculty Publications

This paper provides a quantitative comparison and explores the design space of lead zirconium titanate (PZT)–only and PZT-on-silicon length-extensional mode resonators for incorporation into radio frequency microelectromechanical system filters and oscillators. We experimentally measured the correlation of motional impedance (RX) and quality factor (Q) with the resonators’ silicon layer thickness (tSi). For identical lateral dimensions and PZT-layer thicknesses (tPZT), the PZT-on-silicon resonator has higher resonant frequency (fC), higher Q (5100 versus 140), lower RX (51 Ω versus 205 Ω), and better linearity [third-order input intercept …

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