Quantum chemical investigation of lanthanum doping effects in tetragonal and rhombohedral PZT materials

International Journal of Quantum Chemistry

Volumn 109, Issue 7, 2009, Pages 1576-1583

  Stashans, Arvids ^a   Maldonado, Frank ^a  

^a UNIVERSIDAD TÉCNICA PARTICULAR DE LOJA   (Ecuador)

Author keywords

Hartree Fock method; La Doping; PZT materials; Structure and electronic properties

Indexed keywords

ATOMIC MOVEMENTS; BAND GAPS; CHEMICAL BONDINGS; COVALENT CHARACTER; DIELECTRIC AND PIEZOELECTRIC PROPERTIES; EXPERIMENTAL DATA; GEOMETRY OPTIMIZATION; HARTREE- FOCK METHOD; HARTREE-FOCK THEORY; LA-DOPING; LANTHANUM DOPING EFFECTS; LEAD ZIRCONATE TITANATE; LOCAL ENERGY; PZT MATERIALS; QUANTUM CHEMICAL INVESTIGATION; STRUCTURE AND ELECTRONIC PROPERTIES;

ATOMS; CHEMICAL BONDS; CRYSTAL IMPURITIES; CRYSTALS; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; FERROELECTRIC CERAMICS; LANTHANUM ALLOYS; MOLECULAR PHYSICS; PIEZOELECTRIC ACTUATORS; PIEZOELECTRIC MATERIALS; PIEZOELECTRIC TRANSDUCERS; SEMICONDUCTING LEAD COMPOUNDS; SURFACE STRUCTURE; ZIRCONIUM;

LANTHANUM;

EID: 67649827628     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21988     Document Type: Article

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