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Structural and Electronic Properties of Ti Oj Nb:Ti02 and Cr:Ti02:A First Principles Study
(University of Nairobi, 2012)
Substitutional Nb donor and Cr acceptor states in Anatase and Rutile Ti02 have been studied using
generalized gradient approximation (PBE-GGA) employing pseudopotentials and plane wave basis sets in
bulk. The calculations ...