Can the mott insulator TiOCl be metallized by doping? A first-principles study

Physical Review Letters

Volumn 104, Issue 14, 2010, Pages

  Zhang, Yu Zhong ^a   Foyevtsova, Kateryna ^a   Jeschke, Harald O ^a   Schmidt, Martin U ^a   Valentí, Roser ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLES STUDY; INSULATING STATE; IONIC HUBBARD MODEL; MOTT INSULATORS; NA CONCENTRATION; NA DOPED; NA DOPING; SPECTRAL WEIGHT; SUPER-LATTICE STRUCTURES; TWO-DIMENSIONAL LATTICES;

DENSITY FUNCTIONAL THEORY; HIGH ENERGY PHYSICS; INSULATION; SCANDIUM; SODIUM;

DOPING (ADDITIVES);

EID: 77950679024     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.104.146402     Document Type: Article

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