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Volumn 105, Issue 8, 2009, Pages

The optical and vibrational properties of dominant defects in undoped ZnO: A first-principles study

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION COEFFICIENTS; AS-GROWN; DIELECTRIC FUNCTIONS; FIRST-PRINCIPLES STUDIES; IMAGINARY PARTS; NATIVE DEFECTS; THEORETICAL STUDIES; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES; VIBRATIONAL PROPERTIES; VISIBLE LIGHTS; WURTZITE; ZNO;

EID: 65449137016     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3109207     Document Type: Article
Times cited : (18)

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    • The symbol "indicates that the Zn-H (or Zn-O) bond parallels the c axis, while the other directions are denoted as " ⊥." For the VZn, there are four O atoms around the vacancy, with one O atom aligned along the c axis, i.e. the initial Zn-O bond parallel to the c axis, and three O atoms aligned in other directions. We denote the former as O and the latter as O⊥
    • The symbol " indicates that the Zn-H (or Zn-O) bond parallels the c axis, while the other directions are denoted as " ⊥." For the VZn, there are four O atoms around the vacancy, with one O atom aligned along the c axis, i.e. the initial Zn-O bond parallel to the c axis, and three O atoms aligned in other directions. We denote the former as O and the latter as O⊥.


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