Publication No.25



E. Patiņo, F. Erazo, A. Stashans. Electron transfer effect 
in BaTiO3 and CaTiO3 due to Nb-doping - Mater. Lett., 2001, 
Vol. 50, p. 337-340. 

Abstract:
	Using an advanced quantum-chemical method, a study of Nb-doping has 
been carried out in the BaTiO3 and CaTiO3 crystals. The lattice distortion 
due to the impurity presence is studied in a comparative manner for the two 
crystals and also considering different crystallographic phases. A new 
phenomenon of an extra electron transfer from the local energy level within 
the band-gap to the conduction band is found. This effect is discussed in 
terms of the available experimental data on electrical conductivity 
augmentation in these materials. 




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