Related papers: Elasticity-Driven Nanoscale Electronic Structure i…
Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…
Lattice distortions in which the axes are locally rotated provide an intrinsic source of frustration in anisotropic superconductors. A general framework to study this effect is presented. The influence of lattice defects and phonons in $d$…
On the basis of the Bogolubov-de Gennes theory we develop an analytical description of low-energy extended quasiparticle states around an isolated flux line in a superconductor with gap nodes. The wavefunctions of these excitations and the…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
A rope of carbon nanotubes is constituted of an array of parallel single wall nanotubes with nearly identical diameters. In most cases the individual nanotubes within a rope have different helicities and 1/3 of them are metallic. In the…
In contrast to most microscopic theories of superconductivity based on the reciprocal space, the Bogoliubov-de Gennes (BdG) formalism provides a real-space alternative for addressing inhomogeneous systems. In this article, we study the…
Niobium does not show any structure transition up to very high pressures. Nonetheless, by using density functional theory, we demonstrate in this work that it exhibits striking softening in elastic moduli C44 and C' at a pressure from 20 to…
A novel approach to the description of superconductors in thermal equilibrium is developed within a formally exact density-functional framework. The theory is formulated in terms of three ``densities'': the ordinary electron density, the…
We study spin and charge susceptibilities in the d-wave superconducting state whose underlying electronic dispersion is anisotropic due to the formation of the electronic nematic order. We show that the amplitude of the incommensurate peaks…
It is shown that, an entire class of off-diagonally disordered linear lattices composed of two basic building blocks and described within a tight binding model can be tailored to generate absolutely continuous energy bands. It can be…
We analyze the complex interplay of the strong correlations and impurities in a high temperature superconductor and show that both the nature and degree of the inhomogeneities at zero temperature in the local order parameters change…
We examine how disordering joint position influences the linear elastic behavior of lattice materials via numerical simulations in two-dimensional beam networks. Three distinct initial crystalline geometries are selected as representative…
The similarity of the electronic structures of NaFeAs and other Fe pnictides has been demonstrated on the basis of first-principle calculations. The global double-degeneracy of electronic bands along X-M and R-A direction indicates the…
Engineering superlattices (SLs) - which are spatially periodic potential landscapes for electrons - is an emerging approach for the realization of exotic properties, including superconductivity and correlated insulators, in two-dimensional…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
We describe how to engineer wavefunction delocalization in disordered systems modelled by tight-binding Hamiltonians in d>1 dimensions. We show analytically that a simple product structure for the random onsite potential energies, together…
We calculate the local density of states of a vortex in a two-dimensional s-wave superconductor, in the presence of a uniform applied supercurrent. The supercurrent induces changes in the electronic structure for the isolated vortex as well…
Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate…
A brief review of the nanoscale free-electron model of metal nanowires is presented. This continuum description of metal nanostructures allows for a unified treatment of cohesive and conducting properties. Conductance channels act as…
Semiconductive nanocrystals (NCs) can be self-assembled into ordered superlattices (SLs) to create artificial solids with emerging collective properties. Computational studies have predicted that properties such as electronic coupling or…