First principles study of the structural, electronic, and dielectric properties of amorphous HfO2

Journal of Applied Physics

Volumn 110, Issue 6, 2011, Pages

  Chen, Tsung Ju ^a   Kuo, Chin Lung ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MODELS; AVERAGE COORDINATION NUMBER; BAND-GAP REGION; CHARGE STATE; COORDINATION NUMBER; DEFECT LEVELS; DENSITY FUNCTIONAL PERTURBATION THEORY; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DIELECTRIC CONSTANTS; ELECTRONIC BAND GAPS; EXPERIMENTAL MEASUREMENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; HYBRID DENSITY FUNCTIONAL; LINEAR RESPONSE METHOD; NEGATIVE-U; PAIR CORRELATION FUNCTIONS; STABLE STATE; STRUCTURAL MODELS; TRANSITION LEVEL; VACANCY FORMATION; VIBRATIONAL PROPERTIES;

CALCULATIONS; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; DIELECTRIC PROPERTIES; ELECTRONIC PROPERTIES; ENERGY GAP; HAFNIUM; HAFNIUM OXIDES; MODEL STRUCTURES; PERTURBATION TECHNIQUES; SILICON COMPOUNDS; SILICON OXIDES; VACANCIES;

STRUCTURAL PROPERTIES;

EID: 80053525495     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3636362     Document Type: Article

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