Intrinsic vacancies in cubic-zirconia bulk and surface

Journal of Alloys and Compounds

Volumn 506, Issue 2, 2010, Pages 898-901

  Shen, Pei Jun ^a,b,c   Jiang, San Ping ^c   Ong, Khuong Phuong ^b   Ding, Wei Zhong ^a   Mao, Pei Lin ^d   Lu, Xiong Gang ^a   Li, Chong He ^a   Wu, Ping ^b  

^a SHANGHAI UNIVERSITY   (China)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^d SCHOOL OF ENGINEERING   (Singapore)

Author keywords

Cubic zirconia; Formation energy; Intrinsic vacancy

Indexed keywords

BAND EDGE; BAND GAPS; CUBIC-ZIRCONIA; DEFECT STATE; FORMATION ENERGIES; GROWTH SURFACES; INTRINSIC VACANCY; NEUTRAL OXYGEN VACANCY; OXYGEN VACANCY CONCENTRATION; VACANCY FORMATION ENERGIES;

CHEMICAL ELEMENTS; CHEMICAL POTENTIAL; CHEMICALS; DENSITY FUNCTIONAL THEORY; OXYGEN; VACANCIES; ZIRCONIA; ZIRCONIUM;

OXYGEN VACANCIES;

EID: 77956490321     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2010.07.108     Document Type: Article

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