Jahn-Teller effect on the structure of the Sm-doped PbTiO3: A theoretical approach

Journal of Molecular Structure: THEOCHEM

Volumn 813, Issue 1-3, 2007, Pages 33-37

  Gurgel, Maria F C ^a   Paris, Elaine C ^a   Espinosa, José W M ^b   Paiva Santos, Carlos O ^a   Leite, Edson R ^c   Souza, Antônio G ^b   Varela, José A ^a   Longo, Elson ^a  

^a CMDMC   (Brazil)

^b FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^c FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

Author keywords

Ab initio; DFT; Jahn Teller effect; Lead titanate; Samarium

Indexed keywords

EID: 34249295166     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.02.017     Document Type: Article

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