• DocumentCode
    2731745
  • Title

    New Prospects for High Performance SONAR, Chemical Sensor, and Communication Device Materials

  • Author

    Qi, Tingting ; Levchenko, Sergey V. ; Bennett, Joseph W. ; Grinberg, Ilya ; Rappe, Andrew M.

  • Author_Institution
    Dept. of Chem., Univ. of Pennsylvania, Philadelphia, PA, USA
  • fYear
    2009
  • fDate
    15-18 June 2009
  • Firstpage
    197
  • Lastpage
    204
  • Abstract
    Perovskite oxides are a special group of materials, which exhibit many interesting properties, such as ferroelectricity, ferromagnetism, superconductivity, and high dielectric constant. Their unique physical properties lead to a variety of technological applications. Using quantum-mechanical simulations, we have computationally investigated several perovskite materials for use in Naval SONAR, chemical sensor and communications devices. We elucidate the influence of the constituent elements on technologically relevant properties, furthering the goal of achieving higher performance through modification of the material chemical composition.
  • Keywords
    barium compounds; bismuth compounds; calcium compounds; chemical analysis; chemical sensors; ferroelectric materials; lead compounds; lithium compounds; quantum theory; sonar; Ba1-xCaxZrO3; Bi(Zn0.5Ti0.5)O3PbTiO3; LiNbO3; chemical sensor; communication device material; ferroelectricity; ferromagnetism; high dielectric constant; material chemical composition; naval SONAR; perovskite oxides; quantum-mechanical simulation; superconductivity; Dielectric constant; Passivation; Performance evaluation; Phonons; Solids; Zinc;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC), 2009
  • Conference_Location
    San Diego, CA
  • Print_ISBN
    978-1-4244-5768-7
  • Type

    conf

  • DOI
    10.1109/HPCMP-UGC.2009.34
  • Filename
    5729465