Electronic structure and chemical bonding of Zr substitution of Ti site on Pb(Zr(1-x)Ti(x))O(3) using DV-X alpha method

Cited 1 time in webofscience Cited 0 time in scopus
  • Hit : 480
  • Download : 31
Electronic structures were investigated on Pb(Zr(1-x)Ti(x))O(3) (PZT) using the discrete variational Xalpha cluster method for obtaining the information of dependence on the amount and position of the substituted Zr atoms. Also. we investigated the effect of them on fatigue. The net charge and the overlap population were discussed together with the energy gap, which is related to fatigue. As a result, the net charge was independent on the amount and position of the substituted Zr atoms. and the overlap population wasn't. Furthermore, from the calculated energy gap, we conclude that Zr-rich PZT is less susceptible to fatigue than Ti-rich PZT.
Publisher
TAYLOR FRANCIS LTD
Issue Date
2004
Language
English
Article Type
Article; Proceedings Paper
Keywords

FERROELECTRIC PEROVSKITE OXIDES; FATIGUE; ORIGIN

Citation

INTEGRATED FERROELECTRICS, v.64, pp.297 - 303

ISSN
1058-4587
URI
http://hdl.handle.net/10203/7859
Appears in Collection
MS-Journal Papers(저널논문)
Files in This Item
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 1 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0