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Volumn 404, Issue 20, 2009, Pages 3814-3818

The first-principle calculation of structures and defect energies in tetragonal PbTiO3

Author keywords

Defect energy; Electronic structure; PbTiO3; The first principles; Vacancies

Indexed keywords

ANION VACANCY; ATOMIC RELAXATION; DEFECT ENERGY; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES; FORMATION ENERGIES; OXIDIZING CONDITIONS; PBTIO3; REDUCING CONDITIONS; THERMODYNAMIC CONDITIONS;

EID: 71749084821     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2009.06.150     Document Type: Article
Times cited : (13)

References (27)
  • 19
    • 0003464216 scopus 로고    scopus 로고
    • W.G. Mallard, P.J. Linstrom Eds, National Institute of Standards and Technology, Gaithersburg, MD
    • W.G. Mallard, P.J. Linstrom (Eds.), NIST Chemistry Webbook, NIST Standard Reference Database no. 69, National Institute of Standards and Technology, Gaithersburg, MD, 2003.
    • (2003) NIST Chemistry Webbook, NIST Standard Reference Database no. 69


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.