First-principles study of the electronic and magnetic properties of oxygen-deficient rutile TiO2(1 1 0) surface

Journal of Solid State Chemistry

Volumn 184, Issue 5, 2011, Pages 1148-1152

  Lu, Jibao ^a   Yang, Kesong ^a   Jin, Hao ^a   Dai, Ying ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Double exchange; Ferromagnetism; First principle calculations; Oxygen vacancy; TiO2 surface

Indexed keywords

CHARGE STATE; D ORBITALS; DOUBLE EXCHANGE; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTRONIC STRUCTURE CALCULATIONS; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; NEAREST NEIGHBORS; RUTILE TIO; SURFACE OXYGEN VACANCIES; TIO;

CALCULATIONS; ELECTRONIC STRUCTURE; FERROMAGNETISM; IONS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; OXIDE MINERALS; OXYGEN; VACANCIES;

OXYGEN VACANCIES;

EID: 79955623036     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2011.03.037     Document Type: Article

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