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Volumn 74, Issue 3, 2013, Pages 518-523

The detailed geometrical and electronic structures of monoclinic zirconia

Author keywords

A. Oxides; C. First principles; D. crystal field splitting; D. Electronic structure

Indexed keywords

C. FIRST-PRINCIPLES; COULOMB REPULSIVE INTERACTION; COVALENT CHARACTER; CRYSTAL-FIELD SPLITTING; DENSITY OF STATE; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRICAL AND ELECTRONIC STRUCTURES; HIGHER ENERGY REGION; IONIC BONDS; LOWER ENERGIES; MONOCLINIC ZIRCONIA; OPTIMIZED STRUCTURES; OXYGEN LIGANDS; PROJECTOR AUGMENTED WAVES;

EID: 84872799300     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2012.11.021     Document Type: Article
Times cited : (28)

References (62)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.