相关论文: Peierls Instability in Carbon Nanotubes

We propose a new theoretical interpretation of the electron energy-loss spectroscopy results of Pichler {\it et al.} on bulk carbon nanotube samples. The experimentally found nondispersive modes have been attributed by Pichler {\it et al.}…

Atomistic simulations using a combination of classical forcefield and Density-Functional-Theory (DFT) show that carbon atoms remain essentially sp2 coordinated in either bent tubes or tubes pushed by an atomically sharp AFM tip. Subsequent…

The onset of distortion in one-dimensional monatomic chains with partially filled valence bands is considered to be well-established by the Peierls theorem, which associates the distortion with the formation of a band gap and a subsequent…

The behavior of three-dimensional (3D) semimetals under strong magnetic fields is a topic of recurring interest in condensed matter physics. Recently, the advent of Weyl and Dirac semimetals has brought about an interesting platform for…

We use first principles density functional theory calculations to examine the effect of multiple anions on the Peierls distortion in the rutile oxyfluoride TiOF. By using a structure enumeration approach, we obtain the ground state atomic…

Carbon nanotubes tend to collapse when their diameters exceed a certain threshold, or when a sufficiently large external pressure is applied on their walls. Their radial stability of tubes has been studied in each of these cases, however a…

The Hubbard model on the honeycomb lattice is a well known model for graphene. Equally well known is the Peierls type of instability of the lattice bond lengths. In the context of these two approximations we ask and answer the question of…

We study electron transport between capped carbon nanotubes and a substrate, and relate the transmission probability to the local density of states in the cap. Our results show that the transmission probability mimics the behavior of the…

We provide experimental and theoretical evidence for the realization of the Peierls-type structurally distorted state in the quasi-one-dimensional superconductor Sc$_3$CoC$_4$ by a phonon-softening mechanism. The transition from the high-…

We present first-principles calculations of quantum transport which show that the resistance of metallic carbon nanotubes can be changed dramatically with homogeneous transverse electric fields if the nanotubes have impurities or defects.…

Carbon nanotubes are quasi-one-dimensional systems that possess superior transport, mechanical, optical, and chemical properties. In this work, we generalize the notion of disorder hyperuniformity, a recently discovered exotic state of…

We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our ab initio density functional calculations indicate that…

It is pointed out that the chiral anomaly in 1+1 dimensions should be observed in toroidal carbon nanotubes on a planar geometry with varying magnetic field. We show that the chiral anomaly is closely connected with the persistent current…

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

Nonchiral single wall carbon nanotubes with an "armchair" wrapping are theoretically predicted to be conducting, and high purity samples consisting predominantly of these tubes exhibit metallic behavior with an intrinsic resistivity which…

The high aspect ratio of carbon nanotubes makes them prone to bending. To know how bending affects the tubes is therefore crucial for tube identification and for electrical component design. Very few studies, however, have investigated…

A theory of the long wavelength low energy electronic structure of graphite-derived nanotubules is presented. The propagating $\pi$ electrons are described by wrapping a massless two dimensional Dirac Hamiltonian onto a curved surface. The…

Armchair graphene nanoribbons are a highly promising class of semiconductors for all-carbon nanocircuitry. Here, we present a new perspective on their electronic structure from simple model Hamiltonians and $\textit{ab initio}$…

The electronic properties of carbon nanotubes are investigated in the presence of disorder and a magnetic field parallel or perpendicular to the nanotube axis. In the parallel field geometry, the $\phi_{0}(=hc/e)$-periodic metal-insulator…

By means of pseudopotential calculations based on density functional theory (DFT) we studied the effect of hydrogenation on electronic properties of armchair single-wall carbon nanotubes. The calculations demonstrate strong preference for…