The effect of excess titanium and crystal symmetry on electronic properties of Pb(Zr1-xTix)O3 compounds

Computational Materials Science

Volumn 43, Issue 4, 2008, Pages 909-916

  Baedi, J ^a,b   Hosseini, S M ^a   Kompany, A ^a  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^b KHARAZMI UNIVERSITY   (Iran)

Author keywords

71.15.Mb; 71.20. b; 77.90.+k; Band structure of crystalline solids; Density functional theory; Electron density of states; Ferroelectrics; Piezoelectrics

Indexed keywords

ELECTRONIC PROPERTIES; LEAD; LEAD ALLOYS; TITANIUM; ZIRCONIUM;

71.15.MB; 71.20.-B; 77.90.+K; BAND STRUCTURE OF CRYSTALLINE SOLIDS; DENSITY FUNCTIONAL THEORY; DENSITY OF STATES; ELECTRON DENSITY OF STATES; ENERGY GAPS; FERROELECTRICS; PIEZOELECTRICS;

CRYSTAL SYMMETRY;

EID: 52949094569     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.02.008     Document Type: Article

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