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
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