A first-principles study of the dielectric properties of TiO2 polymorphs

Journal of Physics Condensed Matter

Volumn 23, Issue 2, 2011, Pages

  Thilagam, A ^a   Simpson, D J ^a   Gerson, A R ^a  

^a UNIVERSITY OF SOUTH AUSTRALIA   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BORN EFFECTIVE CHARGE; DENSITY OF STATE; DIELECTRIC ANISOTROPIES; DISTRIBUTION SCHEME; ELECTRON ENERGY-LOSS SPECTRA; EXCITONIC INTERACTION; FIRST-PRINCIPLES STUDY; FREQUENCY-DEPENDENT DIELECTRIC FUNCTION; JAHN TELLER EFFECT; LOWER ENERGIES; MANY-BODY EFFECT; PHOTO-CATALYTIC; PHOTOCATALYTIC ACTIVITIES; PLASMON PEAKS; REAL COMPONENTS; RUTILE AND ANATASE; TIME-DEPENDENT DENSITY; TIO; TITANIUM ION;

DENSITY FUNCTIONAL THEORY; DIELECTRIC PROPERTIES; DOPING (ADDITIVES); OXIDE MINERALS; OXYGEN; OXYGEN VACANCIES; PERTURBATION TECHNIQUES; POLYMORPHISM; TITANIUM; TITANIUM DIOXIDE;

ELECTRON ENERGY LOSS SPECTROSCOPY;

TITANIUM; TITANIUM DIOXIDE;

ARTICLE; CHEMISTRY; ELECTRON SPIN RESONANCE; ELECTRONICS; IMPEDANCE; THEORETICAL MODEL;

ELECTRIC IMPEDANCE; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONICS; MODELS, THEORETICAL; TITANIUM;

EID: 78651497333     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/2/025901     Document Type: Article

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