Carbon impurities in SrTiO3 from first principles

Modelling and Simulation in Materials Science and Engineering

Volumn 23, Issue 1, 2015, Pages

  Al Hadidi, Meaad ^a,b   Goss, J P ^a   Briddon, P R ^a   Al Hamadany, Raied ^a   Ahmed, Mariam ^c   Rayson, M J ^d  

^a NEWCASTLE UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF MOSUL   (Iraq)

^c UNIVERSITY OF TRIPOLI   (Libyan Arab Jamahiriya)

^d UNIVERSITY OF SURREY   (United Kingdom)

Author keywords

carbon; density functional theory; impurity; perovskite

Indexed keywords

CALCULATIONS; CARBON; CARBON FILMS; DIELECTRIC MATERIALS; ELECTRONIC PROPERTIES; IMPURITIES; ORGANIC CARBON; PEROVSKITE; STRONTIUM TITANATES;

ASSOCIATED ELECTRONICS; CARBON CONTAMINATION; DIELECTRIC ELEMENTS; ELECTRICALLY ACTIVES; ELECTRONIC SUBSTITUTION; EXPERIMENTAL IDENTIFICATION; MATERIAL SUBSTITUTIONS; STRUCTURAL CONFIGURATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84919622727     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/23/1/015002     Document Type: Article

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