Chemical bonding and charge density distribution analysis of undoped and lanthanum doped barium titanate ceramics

Journal of Chemical Sciences

MUKHLIS M ISMAIL3²  R SARAVANAN2³  J MANGAIYARKKARASI1¹ 

[1] PG and Research Department of Physics, NMSSVN College, Nagamalai, Madurai, Tamil Nadu, 625 019 India$$;School of Applied Science, University of Technology, Baghdad, Iraq$$;Research Centre and PG Department of Physics, The Madura College, Madurai, Tamil Nadu, 625 011 India$$

关键词: Ceramics;    charge density;    X-ray diffraction;    bonding;    microstructure;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

A-site deficient, Lanthanum substituted Ba1−xLa2x/3TiO3 (x=0.000, 0.005, 0.015, 0.020 and 0.025) ceramics have been synthesized by chemical route. The effects of lanthanum dopant on the BaTiO3 lattice and the electron density distributions in the unit cell of the samples were investigated. Structural studies suggested the reduction in cell parameters and shrinkage in cell volume with the increase in lanthanum content. Chemical bonding and electron density distributions were examined through high resolution maximum entropy method (MEM). The mid bond electron density values revealed the enhancement of covalent nature between titanium and oxygen ions and predominant ionic nature between barium and oxygen ions. Average grain sizes were estimated for the undoped and doped samples. SEM investigations showed the existence of smaller grains with large voids in between them.

【 授权许可】

Unknown