Related papers: Understanding disorder in 2D materials: the case o…
In order to manipulate the properties of graphene, its very important to understand the electronic structure in presence of disorder. We investigate, within a tight-binding description, the effects of disorder in the on-site (diagonal…
The search for a two-dimensional material that simultaneously fulfills some properties for its use in spintronics and optoelectronics, i.e., a suitable bandgap with high in-plane carrier mobility and good environmental stability, is the…
Silicon is a material whose technological application is well established, and obtaining this material in nanostructured form increases its possibility of integration in current technology. Silicene is a natural compatibility with current…
Controlling the metal-insulator transition in graphene-based material is a crucial topic as it directly impacts its potential applications. Inspired by recent experiments, we study the effects of doping and bond disorder on metal-insulator…
A comprehensive study of the effects of carbohydrate doping on the superconductivity of MgB2 has been conducted. In accordance with the dual reaction model, more carbon substitution is achieved at lower sintering temperature. As the…
The change in the lattice parameters or the lattice disorder is claimed as a cause of the slight reduction in the transition temperature by carbon doping in MgB2. In this work, an extensive investigation on the effects of carbohydrate…
Two-dimensional carbon, or graphene, is a semi-metal that presents unusual low-energy electronic excitations described in terms of Dirac fermions. We analyze in a self-consistent way the effects of localized (impurities or vacancies) and…
Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…
Disorder and doping have profound effects on the intrinsic physical mechanisms of superconductivity. In this paper, we employed the determinant quantum Monte Carlo method to investigate the symmetry-allowed superconducting orders on the…
The transport properties of a disordered two-dimensional (2D) honeycomb lattice are examined numerically using the spectral approach to the quantum percolation problem, characterized by an Anderson-type Hamiltonian. In our simulations,…
Doping via electrostatic gating is a powerful and widely used technique to tune the electron densities in layered materials. The microscopic details of how these setups affect the layered material are, however, subtle and call for careful…
Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…
Silicene has been synthesized recently, with experimental evidence showing possible superconductivity in the doped case. The noncoplanar low-buckled structure of this material inspires us to study the pairing symmetry of the doped system…
We examine the onset of Anderson localization in three-dimensional systems with structural disorder in the form of lattice irregularities and in the absence of any on-site disordered potential. Analyzing two models with distinct types of…
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 atomic-level control achievable in artificially-structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density 2D electron gases. Electronic-structure calculations show that the…
We show that in presence of a deformable lattice potential, the nature of the disorder-driven metal-insulator transition (MIT) is fundamentally changed with respect to the non-interacting (Anderson) scenario. For strong disorder, even a…
We study the effect of electron doping on the bonding character and stability of two-dimensional (2D) structures of elemental boron, called borophene, which is known to form many stable allotropes. Our {\em ab initio} calculations for the…
This paper deals with the physics of monolayer graphite, with a particular focus on the electronics and structural properties. In contrast to the previous electronic band structure of doped single-walled carbon nanotube calculation, where…
The optical and Boltzmann conductivities have been calculated for doped buckled honeycomb lattice structures such as silicene and germanene, as functions of temperature. By making use of previous results for the temperature-dependent…