“Structural Transformations in Ceramics: Perovskite-like Oxides and Group III, IV, and V Nitrides”

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1 Overview of Results and their Significance Ceramic perovskite-like oxides with the general formula (A. A0. ...)(B. B0. ...)O3and titanium-based oxides are of great technological interest because of their large piezoelectric and dielectric response characteristics.[1] In doped and nanoengineered forms, titantium dioxide finds increasing application as an organic and hydrolytic photocatalyst. The binary main-group-metal nitride compounds have undergone recent advancements of in-situ heating technology in diamond anvil cells leading to a burst of experimental and theoretical interest. In our DOE proposal, we discussed our unique theoretical approach which applies ab initio electronic calculations in conjunction with systematic group-theoretical analysis of ... continued below

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James P. Lewis (PI, former Co-PI), Dorian M. Hatch (Co-PI, former PI), and Harold T. Stokes (Co-PI) December 31, 2006.

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1 Overview of Results and their Significance Ceramic perovskite-like oxides with the general formula (A. A0. ...)(B. B0. ...)O3and titanium-based oxides are of great technological interest because of their large piezoelectric and dielectric response characteristics.[1] In doped and nanoengineered forms, titantium dioxide finds increasing application as an organic and hydrolytic photocatalyst. The binary main-group-metal nitride compounds have undergone recent advancements of in-situ heating technology in diamond anvil cells leading to a burst of experimental and theoretical interest. In our DOE proposal, we discussed our unique theoretical approach which applies ab initio electronic calculations in conjunction with systematic group-theoretical analysis of lattice distortions to study two representative phase transitions in ceramic materials: (1) displacive phase transitions in primarily titanium-based perovskite-like oxide ceramics, and (2) reconstructive phase transitions in main-group nitride ceramics. A sub area which we have explored in depth is doped titanium dioxide electrical/optical properties.

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  • Report No.: ER46059-03
  • Grant Number: FG02-03ER46059
  • DOI: 10.2172/909138 | External Link
  • Office of Scientific & Technical Information Report Number: 909138
  • Archival Resource Key: ark:/67531/metadc889247

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  • December 31, 2006

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  • Sept. 22, 2016, 2:13 a.m.

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  • Dec. 2, 2016, 12:51 p.m.

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James P. Lewis (PI, former Co-PI), Dorian M. Hatch (Co-PI, former PI), and Harold T. Stokes (Co-PI). “Structural Transformations in Ceramics: Perovskite-like Oxides and Group III, IV, and V Nitrides”, report, December 31, 2006; United States. (digital.library.unt.edu/ark:/67531/metadc889247/: accessed November 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.