Structural and electronic properties of PbTiO3 slabs: A DFT periodic study

Surface Science

Volumn 552, Issue 1-3, 2004, Pages 149-159

  De Lazaro, Sergio ^a,b   Longo, Elson ^b   Sambrano, Julio Ricardo ^a,c   Beltrán, Armando ^a  

^a UNIVERSITAT JAUME I   (Spain)

^b FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^c SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

Author keywords

Density functional calculations; Lead; Semiconducting surfaces; Surface electronic phenomena (work function, surface potential, surface states, etc.); Titanium oxide

Indexed keywords

CARRIER CONCENTRATION; COMPUTATIONAL METHODS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTROOPTICAL MATERIALS; FERROELECTRIC THIN FILMS; INTERFACIAL ENERGY; LATTICE CONSTANTS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TITANIUM; TITANIUM DIOXIDE;

SEMICONDUCTING SURFACES; SURFACE ELECTRONIC PHENOMENA; SURFACE POTENTIAL; SURFACE STATES; WORK FUNCTION (WF);

LEAD COMPOUNDS;

EID: 1342306778     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.01.041     Document Type: Article

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