Related papers: Vibrational and nonlinear optical properties of am…
Recently, the novel system of linear carbon chains inside of double-walled carbon nanotubes has extended the length of $sp^1$ hybridized carbon chains from 44 to thousands of atoms [L. Shi et al., Nat. Mater. 15, 634 (2016)]. The…
Linear chains made by a single row of sp-hybridized carbon are predicted to display fascinating mechano-electronic properties connected with their termination and stabilization inside realistic carbon structures. The present work describes…
Inclusions of sp-hybridised, trans-polyacetylene [trans-(CH)x] and poly(p-phenylene vinylene) (PPV) chains are revealed using resonant Raman scattering (RRS) investigation of amorphous hydrogenated carbon (a-C:H) films in the near IR - UV…
We perform a systematic investigation of the resonance and vibrational properties of naphthyl-terminated sp carbon chains (dinaphthylpolyynes) by combined multi-wavelength resonant Raman (MWRR) spectroscopy, ultraviolet-visible…
Search for one dimensional (1D) van der Waals materials has become an urgent need to meet the demand as building blocks for high performance, miniaturized, lightweight device applications. Polyyne, a 1D atomic chain of carbon is the…
Two-dimensional (2D) hybrid sp-sp2 carbon systems are an appealing subject for science and technology. For these materials, topology and structure significantly affect electronic and vibrational properties. We investigate here by periodic…
The symmetry group analysis is applied to classify the phonon modes of $N$-stacked graphene layers (NSGL's) with AB- and AA-stacking, particularly their infra-red and Raman properties. The dispersions of various phonon modes are calculated…
The resonant Raman scattering in N-IR - UV range from amorphous hydrogenated carbon (a-C:H) reveal inclusions of trans-polyacetylene (trans-(CH)x) chains with approximate length of up to 120 C=C units and inclusions of poly(p-phenylene…
Among polycyclic aromatic hydrocarbons, pyrene is widely used as an optical probe thanks to peculiar ultraviolet absorption and infrared emission features. Interestingly, this molecule is also an abundant component of the interstellar…
A novel form of amorphous carbon with sp-sp2 hybridization has been recently produced by supersonic cluster beam deposition showing the presence in the film of both polyynic and cumulenic species [L. Ravagnan et al. Phys. Rev. Lett. 98,…
The vibrational properties of three sodosilicate glasses have been investigated in the framework of Density Functional Theory. The pure vibrational density of states has been calculated for all systems and the different vibrational modes…
We investigate the vibrational, optical, and electronic properties of insulating YbN thin films using Raman spectroscopy, Fourier-transform infrared spectroscopy, and electrical transport measurements, supported by density functional…
Raman measurements in carbon allotropes are generally associated with the exploration of the vibrational modes. Here, we present a theory of the non-resonant inelastic light scattering accompanied by the excitations of intersubband…
Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from…
We investigate vibration modes and their Raman activity of single-walled carbon nanotubes that are bent within their intrinsic elastic limits. By implementing novel boundary conditions for density-functional based tight-binding, and using…
In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of…
Recently, Mitsuhashi et al., have observed superconductivity with transition temperature up to 18 K in potassium doped picene (C22H14), a polycyclic aromatic hydrocarbon compound [Nature 464 (2010) 76]. Theoretical analysis indicate the…
Graphdiyne, atomically-thin 2D carbon nanostructure based on sp-sp2 hybridization, is an appealing system potentially showing outstanding mechanical and optoelectronic properties. Surface-catalyzed coupling of halogenated sp-carbon-based…
Raman measurements on monolayer graphene folded back upon itself as an ordered but skew-stacked bilayer (i.e. with interlayer rotation) presents new mechanism for Raman scattering in sp2 carbons that arises in systems that lack coherent AB…
An experimental study of optical phonon modes, both normal and interface (IF) phonons, in bilayer strain-coupled InAs/GaAs_(1-x)Sb_x quantum dot heterostructures has been presented by means of low-temperature polarized Raman scattering. The…