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

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

Brigham Young University

关键词: Electronic Structure;    Optical Properties;    Titanium Oxides;    36 Materials Science;    Nitrides;   

DOI  :  10.2172/909138
RP-ID  :  ER46059-03
RP-ID  :  FG02-03ER46059
RP-ID  :  909138

美国|英语

来源: UNT Digital Library

【 摘 要 】

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.