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We show that quantum confinement in the valence and conduction bands of semiconducting single-walled carbon nanotubes can be engineered by means of artificial defects. This ability holds potential for designing future nanotube-based quantum…
The link between changes in the material crystal structure and its mechanical, electronic, magnetic, and optical functionalities - known as the structure-property relationship - is the cornerstone of the contemporary materials science…
Molecular dynamics simulations show that a graphene nanoribbon with alternating regions which are one and three hexagons wide can transform into a hybrid 1D nanoobject with alternating double chains and polycyclic regions under electron…
Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected…
Field emission from metals underpinned early vacuum-tube technology, and recent nanoscale engineering made field-emission devices compatible with modern silicon platforms. However, the limited tunability of electron transport in metals has…
Elastic radial deformation of multiwall carbon nanotubes (MWNTs) under hydrostatic pressure is investigated within the continuum elastic approximation. The thin-shell theory, with accurate elastic constants and interwall couplings, allows…
We modify the theory of nanoscale patterns produced by ion bombardment with concurrent impurity deposition to take into account the effect that the near-surface impurities have on the collision cascades. As the impurity concentration is…
Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…
Controlled modification of graphene properties is essential for its proposed electronic applications. Here we describe a possibility of tuning electrical properties of graphene via electron beam irradiation. We show that by controlling the…
We use a lowest Landau level model to study the recent observation of an anomalous Hall effect in twisted bilayer graphene. This effective model is rooted in the occurrence of Chern bands which arise due to the coupling between the graphene…
Systematic engineering of atomic-scale low-dimensional defects in two-dimensional nanomaterials is a promising way to modulate the electronic properties of these nanomaterials. Defects at interfaces such as grain boundaries and line defects…
We consider lattice deformations (both continuous and topological) in the hexagonal lattice Hubbard model in the tight binding approximation to graphene, involving operators with the range up to next-to-neighbor. In the low energy limit, we…
We study theoretically the electronic structure, transport and optical properties for a zigzag single-wall carbon nanotube connected to two normal conductor leads under the irradiation of an external electromagnetic field at low…
We use low-energy electron microscopy (LEEM), low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM) to study different orientations of single-layer graphene sheets on Ir(111). The most-abundant orientation has…
Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…
Graphite has been used as neutron moderator or reflector in many nuclear reactors. The irradiation of graphite in a nuclear reactor results in a complex population of defects. Heating of the irradiated graphite at high temperatures results…
We present analytical expressions for the eigenstates and eigenvalues of electrons confined in a graphene monolayer in the presence of a disclination. The calculations are performed in the continuum limit approximation in the vicinity of…
We benchmark angular-momentum projected{-after-variation} Hartree-Fock calculations as an approximation to full configuration-interaction results in a shell model basis. For such a simple approximation we find reasonably good agreement…
The electron scattering from periodic line defects on the surface of topological insulators with hexagonal warping effect is investigated theoretically by means of a transfer matrix method. The influence of surface line defects, acting as…
Shape resonances in photoionization of atoms and molecules arise from a particular geometry of the ionic potential which traps the receding photoelectron in a quasi-bound state in a particular partial wave. This mechanism allows us to…