相关论文: Indirect doping effects from impurities in MoS$_2$…
Magnetic ordering of the first row transition metal intercalates of NbS$_2$ due to coupling between the conduction electrons and the intercalated ions has been explained in terms of Fermi surface nesting. We use angle-resolved photoelectron…
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…
A first-principles investigation of the electronic and quantum transport properties of double-walled carbon nanotubes doped with nitrogen and boron atoms is presented. Concentric nanotube sidewalls separated by the typical graphitic van der…
Doping can profoundly affect the electronic- and optical-structure of semiconductors. Here we address the effect of surplus charges on non-radiative (NR) exciton and trion decay in doped semiconducting single-wall carbon nanotubes. The…
In optically excited two-dimensional phototransistors, charge transport is often affected by photodoping effects. Recently, it was shown that such effects are especially strong and persistent for graphene/h-BN heterostructures, and that…
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field…
The effects of Fe dopants in (Li$_{0.8}$Fe$_{0.2}$OH)FeSe on the electronic band structure are investigated by band unfolding ($k$-projection) technique based on first-principles supercell calculations. Doping 20\% Fe into the LiOH layers…
The electron-doping-driven collapse of the charge gap and staggered magnetization of the spin-orbit-assisted Mott insulator Sr$_{3}$Ir$_{2}$O$_{7}$ is explored via first-principles computational methods. In the antiferromagnetic phase, the…
The influence of disorder, both structural (non-diagonal) and on-site (diagonal), is studied through the inhomogeneous Bogoliubov-de Gennes (BdG) theory in narrow-band disordered superconductors with a view towards understanding…
Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…
In order to unravel a role of doping in the iron-based superconductors, we investigated the in-plane resistivity for BaFe$_2$As$_2$ doped at either of the three different lattice sites, Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$,…
Contaminations in the formation of two-dimensional heterostructures can hinder or generate desired properties. Recent advancements have highlighted the potential of tip-enhanced Raman spectroscopy (TERS) for studying materials in the 2D…
Two-dimensional (2D) $\beta$-TeO$_2$ has gained attention as a promising material for optoelectronic and power device applications, thanks to its transparency and high hole mobility. However, the underlying mechanism behind its $p$-type…
Substitutionally doped transition metal dichalcogenides (TMDs) are the next step towards realizing TMD-based field effect transistors, sensors, and quantum photonic devices. Here, we report on the influence of Re concentration on charge…
We report the antimony (Sb) doping effect in a prototype system of iron-based supercon-ductors LaFeAsO1-yFy (y=0, 0.1, 0.15). X-ray powder diffraction indicates that the lattice pa-rameters increase with Sb content within the doping limit.…
Monolayer transition-metal dichalcogenide (TMD) semiconductors exhibit strong excitonic effects and hold promise for optical and optoelectronic applications. Yet, electron doping of TMDs leads to the conversion of neutral excitons into…
We study the influence of non magnetic impurities on the phase diagram of doped two-leg Hubbard Cu-O ladders. In the absence of impurities this system posseses d-wave superconducting states and orbital current states depending on the…
Mott transition has been realized in atomically thin monolayer (ML) of two dimensional semiconductors (WS$_2$) via optically excited carriers above a critical carrier density through many body interactions. The above nonlinear optical…
Employing the density-functional theory with local density approximation, we show that the fully hydrogenated monolayer-hexagonal boron nitride (H$_2$BN) has a direct-band gap of 2.96 eV in the blue-light region while the pristine…
Two-dimensional (2D) semiconductors are likely to dominate next-generation electronics due to their advantages in compactness and low power consumption. However, challenges such as high contact resistance and inefficient doping hinder their…