Deep versus shallow behavior of intrinsic defects in rutile and anatase TiO2 polymorphs

Journal of Physical Chemistry C

Volumn 114, Issue 49, 2010, Pages 21694-21704

  Mattioli, Giuseppe ^a,b   Alippi, Paola ^a   Filippone, Francesco ^a   Caminiti, Ruggero ^b   Amore Bonapasta, Aldo ^a  

^a CNR   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO SIMULATIONS; BULK PROPERTIES; DEEP DONOR; DEFECT STATE; FORMATION ENERGIES; FUNCTIONAL CALCULATIONS; INTERSTITIALS; INTRINSIC DEFECTS; N-TYPE CONDUCTIVITY; RUTILE AND ANATASE; SHALLOW DONORS; TIO; TRANSITION LEVEL; VERTICAL TRANSITIONS;

ELECTRON MOBILITY; ELECTRONIC PROPERTIES; OXIDE MINERALS; OXYGEN; OXYGEN VACANCIES; TITANIUM; TITANIUM DIOXIDE;

DEFECTS;

EID: 78650302286     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1041316     Document Type: Article

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