Electronic properties of a silicon carbide nanotube under uniaxial tensile strain: A density function theory study

Journal of Nanoparticle Research

Volumn 12, Issue 8, 2010, Pages 2919-2928

  Chen, Hui Lung ^a   Ju, Shin Pon ^b   Lin, Jenn Sen ^c   Zhao, Jijun ^d   Chen, Hsin Tsung ^e   Chang, Jee Gong ^e   Weng, Meng Hsiung ^b   Lee, Shin Chin ^b   Lee, Wen Jay ^e  

^a Taipei Sports University   (Taiwan)

^b NATIONAL SUN YAT SEN UNIVERSITY   (Taiwan)

^c NATIONAL UNITED UNIVERSITY   (Taiwan)

^d DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^e NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

Author keywords

DFT; Electronic properties; Modeling and simulation; SiCNT; Tensile strain

Indexed keywords

A-DENSITY; AXIAL STRAIN; BEFORE AND AFTER; BLUE-SHIFTED; C ATOMS; CHARGE ANALYSIS; DECREASE LINEARLY; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT; DIFFERENT SLOPES; ELONGATION PROCESS; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOMO-LUMO GAPS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MODELING AND SIMULATION; PARTIAL DENSITY OF STATE; RADIAL GEOMETRIES; RED-SHIFTED; SI ATOMS; SIC NANOTUBES; SICNT; SILICON CARBIDE NANOTUBES; SINGLE-WALLED; STRAIN EFFECT; TENSILE LOADING; UNIAXIAL TENSILE STRAIN; UNOCCUPIED STATE;

ATOMS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MOLECULAR MODELING; MOLECULAR ORBITALS; NANOTUBES; SILICON; SILICON CARBIDE;

TENSILE STRAIN;

SILICON; SILICON CARBIDE; SINGLE WALLED NANOTUBE;

ARTICLE; ATOM; BINDING KINETICS; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; GEOMETRY; MOLECULAR ELECTRONICS; POLARIZATION; PRIORITY JOURNAL; STRUCTURE ANALYSIS; SURFACE CHARGE; TENSILE STRENGTH; TRANSPORT KINETICS;

EID: 78649904600     PISSN: 13880764     EISSN: 1572896X     Source Type: Journal    
DOI: 10.1007/s11051-010-9882-9     Document Type: Article

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