相关论文: Hole doping MgB$_2$ without chemical substitution

Transition metal dichalcogenides (TMDs) display a rich variety of instabilities such as spin and charge orders, Ising superconductivity and topological properties. Their physical properties can be controlled by doping in electric…

We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen-vacancy complexes. The results are numerically obtained using the…

At very high doping levels the van Hove singularity in the $\pi^*$ band of graphene becomes occupied and exotic ground states possibly emerge, driven by many-body interactions. Employing a combination of ytterbium intercalation and…

This study investigates the novelty of the crystalline and electronic structure of (Mg,Ti)-doped ZnO and the co-doped Zn1-x-yMgxTiyO structures using Gaussian and plane-wave basis sets, as implemented in the CP2K code. The goal of…

Graphene-based materials (GBMs) constitute a large family of materials which has attracted great interest for potential applications. In this work, we apply first-principles calculations based on density functional theory (DFT) and fully…

We have demonstrated that the island nucleation in the initial stage of epitaxial thin film growth can be tuned by substrate surface charge doping. This charge effect was investigated using spin density functional theory calculation in…

Recently, an experimental study developed an efficient way to obtain sulfur-doped gamma-graphdiyne. This study has shown that this new material could have promising applications in lithium-ion batteries, but the complete understanding of…

In this paper, we studied the structural and electronic properties of MoSe$_2$ monolayer in its pure and doped forms, using the density functional theory (DFT), and the calculations were performed using Quantum Espresso (QE) software…

We perform a phenomenological analysis of the problem of the electronic doping of a graphene sheet by deposited transition metal atoms, which aggregate in clusters. The sample is placed in a capacitor device such that the electronic doping…

We report on the temperature dependence of the quasiparticle density of states (DOS) in the simple binary compound MgB2 directly measured using scanning tunneling microscope (STM). To achieve high quality tunneling conditions, a small…

We demonstrated doping in 2D monolayer graphene via local electrical stressing. The doping, confirmed by the resistance-voltage transfer characteristics of the graphene system, is observed to continuously tunable from N-type to P-type as…

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…

Phase diagram of electron and hole-doped SrFe2As2 single crystals is investigated using Co and Mn substitution at the Fe-sites. We found that the spin-density-wave state is suppressed by both dopants, but the superconducting phase appears…

Using micro-Raman spectroscopy and scanning tunneling microscopy, we study the relationship between structural distortion and electrical hole doping of graphene on a silicon dioxide substrate. The observed upshift of the Raman G band…

We have evaluated the successes and failures of the Hubbard-corrected density functional theory (DFT+U) approach to study Mg doping of LiCoO$_2$. We computed the effect of the U parameter on the energetic, geometric and electronic…

The structure and electrical properties of a two-dimensional (2D) sheet of silicon on a graphene substrate are studied using first-principles calculations. A new corrugated rectangular structure of silicon is proposed to be the most…

In this manuscript, recent theoretical investigations by the authors in the area of oxide multilayers are briefly reviewed. The calculations were carried out using model Hamiltonians and a variety of non-perturbative techniques. Moreover,…

Small Fermi energy effects are induced in MgB$_2$ by the low hole doping in the $\sigma$ bands which are characterized by a Fermi energy $E_{\rm F}^\sigma \sim 0.5$ eV. We show that, due to the particularly strong deformation potential…

The layered Mott insulator ${\alpha}$-RuCl${_3}$ has been extensively studied as a potential Kitaev quantum spin liquid candidate. Here, by constructing heterostructures with graphite, we employed electron tunneling measurements on…

The influence of attractive boron impurities, embedded on a graphene sheet, on the phase diagrams of $^4$He and H$_2$ adsorbed on top was studied using the diffusion Monte Carlo method. The doping of graphene was made by distributing the…