S. N. Behera

Theory of the tangential G-band feature in the Raman spectra of metallic carbon nanotubes

The tangential G-band in the Raman spectra of a metallic single-wall carbon nanotube shows two peaks: a higher frequency component having the Lorentzian shape and a lower-frequency component of lower intensity with a Breit-Wigner-Fano (BWF)-type lineshape. This interesting feature has been analyzed on the basis of phonon-plasmon coupling in a nanotube. It is shown that while the gapless semi-acoustic plasmon cannot account for the observed spectra as claimed by other investigators, the low-lying optical plasmon corresponding to the tangential motion of the electrons on the nanotube surface can explain the observed features. In particular, this theory can explain occurrence of both the Lorentzian and BWF lineshapes in the G-band Raman spectra of metallic single-wall carbon nanotubes. Furthermore, the theory shows that the BWF peak moves to higher frequency, has a lower intensity and a lower half width at higher diameters of the nanotube. All these features are in agreement with experimental observations.

Anisotropic ferromagnetism in carbon-doped zinc oxide from first-principles studies

A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HSE06) as exchange-correlation functional. It is found that the non-spinpolarized C

Raman spectra of unfilled and filled carbon nanotubes : Theory

_\mathrm{Zn}

Theory of k→⋅π→+U formalism for diluted magnetic semiconductors: Application to p-type Sn1−xGdxTe

impurity is under almost all conditions thermodynamically more stable than the C

Absence of ferromagnetic interaction in Co-Co nearest neighbor impurity pairs in ZnO: An analysis from GGA+U studies

_\mathrm{O}

Magnetovoltaic effect in a quantum dot undergoing Jahn-Teller transition

impurity which has a magnetic moment of

Electrical transport in a quantum dot undergoing Jahn-Teller transition

2\mu_{\mathrm{B}}

Raman spectra of filled carbon nanotubes

, with the exception of very O-poor and C-rich conditions. This explains the experimental difficulties in sample preparation in order to realize

Mesoscopic, Nanoscopic and Macroscopic Materials

d^{0}

Electronic conduction through quantum dots undergoing Jahn–Teller transition

-ferromagnetism in C-doped ZnO. From GGA calculations with large 96-atom supercells, we conclude that two C