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Register a new userThe radial breathing-like mode of the collapsed Single-walled carbon nanotube bundle under hydrostatic pressure
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Using the first principles calculations we have studied the vibrational modes and Raman spectra of a (10, 10) single-walled carbon nanotube (SWNT) bundle under hydrostatic pressure. Detailed analysis shows that the original radial breathing mode (RBM) of the SWNT bundle disappears after the structural phase transition (SPT). And significantly a RBM-like mode appears at about 509 cm^{-1}, which could be considered as a fingerprint of the SPT happened in the SWNT bundle, and further used to determine the microscopic structure of the bundle after the SPT.
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The structural, electronic, optical and vibrational properties of the collapsed (10,10) single-walled carbon nanotube bundle under hydrostatic pressure have been studied by the first-principles calculations. Some features are observed in the present study: First, a collapsed structure is found, which is distinct from both of the herringbone and parallel structures obtained previously. Secondly, a pseudo-gap induced by the collapse appears along the symmetry axis textit{$Gamma $X}. Thirdly, the relative orientation between the collapsed tubes has an important effect on their electronic, optical and vibrational properties, which provides an efficient experimental method to distinguish unambiguously three different collapsed structures.
The radial-breathing-like phonon modes (RBLMs) of the double-walled carbon nanotubes are studied in a simple analytical model, in which the interaction force constants (FCs) can be obtained analytically from the continuous model. The RBLMs frequencies are obtained by solving the dynamical matrix, and their relationship with the tube radii can be obtained analytically, offering a powerful experimental tool for determining precisely the radii of the multi-walled carbon nanotubes.
The electronic properties of as-prepared and purified unoriented single-walled carbon nanotube films were studied by transmission measurements over a broad frequency range (far-infrared up to visible) as a function of temperature (15 K - 295 K) and external pressure (up to 8 GPa). Both the as-prepared and the purified SWCNT films exhibit nearly temperature-independent properties. With increasing pressure the low-energy absorbance decreases suggesting an increasing carrier localization due to pressure-induced deformations. The energy of the optical transitions in the SWCNTs decreases with increasing pressure, which can be attributed to pressure-induced hybridization and symmetry-breaking effects. We find an anomaly in the pressure-induced shift of the optical transitions at $sim$2 GPa due to a structural phase transition.
The effect of a normal H2 impurity upon the radial thermal expansion (Ar) of SWNT bundles has been investigated in the interval T = 2.2-27 K using the dilatometric method. It is found that H2 saturation of SWNT bundles causes a shift of the temperature interval of the negative thermal expansion towards lower (as compared to pure CNTs) temperatures and a sharp increase in the magnitude of (Ar) in the whole range of temperatures investigated. The low temperature desorption of H2 from a powder consisting of bundles of SWNTs, open and closed at the ends, has been investigated.
We study the behaviour of the non-retarded van der Waals force between a planar substrate and a single-walled carbon nanotube, assuming that the system is immersed in a liquid medium which exerts hydrostatic pressure on the tubes surface, thereby altering its cross-section profile. The shape of the latter is described as a continual structure characterized by its symmetry index $n$. Two principle mutual positions of the tube with respect to the substrate are studied: when one keeps constant the minimal separation between the surfaces of the interacting objects; when the distance from the tubes axis to the substrates bounding surface is fixed. Within these conditions, using the technique of the surface integration approach, we derive an integral form of the expressions which give the dependence of the commented force on the applied pressure.
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