Quantum chemical modelling of Al-doped PZT crystals

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DC Field	Value	Language
dc.contributor.author	Serrano, S.	es_ES
dc.contributor.author	Stashans, A.	es_ES
dc.contributor.author	Celi, L.	es_ES
dc.date.accessioned	2017-06-16T22:03:09Z	-
dc.date.available	2017-06-16T22:03:09Z	-
dc.date.issued	2006-12-01	es_ES
dc.date.submitted	01/01/2006	es_ES
dc.identifier	10.1504/IJNT.2006.011176	es_ES
dc.identifier.isbn	14757435	es_ES
dc.identifier.other	10.1504/IJNT.2006.011176	es_ES
dc.identifier.uri	http://dspace.utpl.edu.ec/handle/123456789/19214	-
dc.description.abstract	Complete analysis of the electronic and structural changes of the lead zirconate titanate (PZT) crystal due to aluminium impurity doping is done based on the computationally obtained results. The PZT is modelled at a concentration of the morphotropic phase boundary with the stoichiometry equal to PbZr 0.53Ti0.47O3 and the chosen concentration of Al impurity is about 1.5%. A spontaneous occurrence of conducting hole polarons in the upper valence band is observed. The obtained results are discussed in terms of the available experimental data. Copyright © 2006 Inderscience Enterprises Ltd.	es_ES
dc.language	Inglés	es_ES
dc.subject	Al-doping	es_ES
dc.title	Quantum chemical modelling of Al-doped PZT crystals	es_ES
dc.type	Article	es_ES
dc.publisher	International Journal of Nanotechnology	es_ES
Appears in Collections:	Artículos de revistas Científicas

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