Structure and magnetism in Mn-doped zirconia: Density-functional theory studies

Journal of Magnetism and Magnetic Materials

Volumn 321, Issue 15, 2009, Pages 2354-2358

  Jia, Xingtao ^a   Yang, Wei ^b   Qin, Minghui ^c   Li, Jianping ^d  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b SHANGHAI OCEAN UNIVERSITY   (China)

^c NANJING UNIVERSITY   (China)

^d Shandong Information Technology College   (China)

Author keywords

DFT calculation; Doping; Magnetism; Zirconia

Indexed keywords

CRYSTAL FIELDS; DENSITY-FUNCTIONAL THEORIES; DFT CALCULATION; DOPING; ELECTRON DONORS; FIRST-PRINCIPLES; HIGH-TEMPERATURE PHASE; MN IMPURITIES; MN-DOPED; PLANE-WAVE PSEUDOPOTENTIAL METHODS;

CRYSTAL IMPURITIES; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); MANGANESE; MANGANESE COMPOUNDS; PROBABILITY DENSITY FUNCTION; TIME VARYING SYSTEMS; WAVE FUNCTIONS; ZIRCONIA; ZIRCONIUM ALLOYS;

MAGNETISM;

EID: 65149103201     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2009.02.132     Document Type: Article

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