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Ferroelectrics Volume 131, 1992 - Issue 1
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Structure and properties

LCAO calculations of the electronic structure of PbTiO3 and PbZrO3

S. A. Prosandeyev Rostov State University, Rostov-on-Don, Russia
,
Yu Yu Tarasevich Rostov State University, Rostov-on-Don, Russia
&
N. M. Teslenko Rostov State University, Rostov-on-Don, Russia
Pages 137-140 | Received 02 Oct 1991, Published online: 10 Feb 2011
 
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Abstract

Using the tight-binding method, the electronic structure of Pb titanate and the Pb zirconate was calculated. The qualitative peculiarities of the dispersion laws and densities of states are discussed.

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