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An ab initio study of optical and Raman spectra of heavily Li-doped 4 Å carbon nanotubes

Content Provider	Scilit
Author	Agrawal, B. K. Agrawal, S. Srivastava, Rekha
Copyright Year	2006
Description	Journal: Journal of Physics: Condensed Matter Our corrected cohesive energy for the bulk Li is in fact 1.82 eV (in contrast to the value reported in the paper, 0.5 eV) against the experimental value of 1.63 eV. When the binding energies are now calculated after taking the bulk Li energy as the reference energy, the calculated binding energies turn out to be more or less in agreement with the values of Liu and Chan [1]. The authors apologise to Liu and Chen for the unfounded criticism of their work in the paper. None of the results of the above paper depends upon the bulk Li energy and therefore our results for the binding energies presented in the various tables which have been obtained after taking the isolated Li atom energy as the reference energy remain unaffected. Thus all the results for the binding energies, electronic structure, optical absorption and Raman active radial breathing mode frequencies obtained are technically sound and free from error.
Related Links	http://iopscience.iop.org/article/10.1088/0953-8984/18/44/C01/pdf
Ending Page	10115
Page Count	1
Starting Page	10115
ISSN	09538984
e-ISSN	1361648X
DOI	10.1088/0953-8984/18/44/c01
Journal	Journal of Physics: Condensed Matter
Issue Number	44
Volume Number	18
Language	English
Publisher	IOP Publishing
Publisher Date	2006-10-20
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics: Condensed Matter
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Materials Science

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4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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