Raman spectra of single-walled carbon nanotubes with vacancies

被引：27
|
作者：
Malola, Sami [1 ]
Hakkinen, Hannu [1 ,2 ]
Koskinen, Pekka [1 ]
机构：
[1] Univ Jyvaskyla, Dept Phys, Nanosci Ctr, FIN-40014 Jyvaskyla, Finland
[2] Univ Jyvaskyla, Dept Chem, Nanosci Ctr, FIN-40014 Jyvaskyla, Finland
来源：
PHYSICAL REVIEW B | 2008年 / 77卷 / 15期
关键词：
D O I：
10.1103/PhysRevB.77.155412
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Density-functional based tight-binding method in conjunction with nonresonant bond-polarization theory is used to predict Raman spectra of single-walled carbon nanotubes with vacancies. Calculations show that the high-energy Raman active modes are more sensitive to vacancies and their energy is generally lowered, while also the radial breathing mode may change in intensity and shape. The connection of these observations to experiments is discussed. The effect of vacancies on the spatial nature of Raman active eigenmodes is analyzed and discussed.
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页数：8
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