First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped

Journal of Alloys and Compounds

Volumn 541, Issue , 2012, Pages 250-255

  Wu, Liang ^a   Hou, Tingjun ^a   Wang, Yi ^a   Zhao, Yanfei ^a   Guo, Zhenyu ^a   Li, Youyong ^a   Lee, Shuit Tong ^b  

^a SOOCHOW UNIVERSITY   (China)

^b CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

DFT; Doping effect; First principles study; Phase transition; Zinc oxide

Indexed keywords

AMBIENT CONDITIONS; B1 PHASE; CO-DOPED ZNO; CR-DOPED; D ORBITALS; DFT; DOPED ZNO; DOPING EFFECTS; FE-DOPED; FIRST-PRINCIPLES STUDY; LATTICE DISTORTIONS; MN-DOPED ZNO; NI-DOPED ZNO; ROCK SALT; THEORETICAL BASIS; TRANSITION PRESSURE; V-DOPED ZNO; WURTZITES; ZINC OXIDE (ZNO); ZNO;

DENSITY FUNCTIONAL THEORY; MAGNETIC MOMENTS; MANGANESE; MANGANESE OXIDE; PHASE TRANSITIONS; TRANSITION METALS; ZINC SULFIDE;

ZINC OXIDE;

EID: 84864917422     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.06.091     Document Type: Article

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