First-principles study of single intrinsic vacancy formation and its effect on the electronic density states and magnetic moment of V-doped ZnO

Physica B: Condensed Matter

Volumn 407, Issue 4, 2012, Pages 719-723

  Wang, Qing Bo ^a   Zheng, Guang ^a   Chen, Qi Li ^a   Wan, Miao ^a   Wang, Xi Cheng ^a  

^a CHINA UNIVERSITY OF GEOSCIENCES   (China)

Author keywords

Castep; Electronic density states; First principles; Magnetic moment; V doped ZnO

Indexed keywords

CASTEP; DILUTE MAGNETIC SEMICONDUCTORS; ELECTRONIC DENSITY; ELECTRONIC DENSITY STATES; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; MATERIALS STUDIO; SINGLE VACANCIES; SPIN-POLARIZED; V-DOPED ZNO; VACANCY FORMATION; VANADIUM DOPING; ZINC VACANCY;

CALCULATIONS; CHARGE DENSITY; DENSITY (SPECIFIC GRAVITY); ELECTRONIC DENSITY OF STATES; FERMI LEVEL; MAGNETIC MOMENTS; MAGNETIC SEMICONDUCTORS; OXYGEN; POLARIZATION; SEMICONDUCTOR DOPING; ZINC; ZINC OXIDE;

OXYGEN VACANCIES;

EID: 84855895668     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.12.008     Document Type: Article

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