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Silicon quantum dots are nanomaterials that are attractive candidates for photovoltaic applications. Doping of these materials creates p-n junctions and is important for solar cells. In this work, we present a first-principles study of the…
Boosting superconductivity by metallic reservoirs is the essence of Kivelson's bilayer proposal. One layer provides pairing to the electrons, while the weakly coupled metal provides additional phase coherence to those pairs by mediating…
A new mechanism that induces charge density variations in corrugated graphene is proposed. Here it is shown how the interplay between lattice deformations and exchange interactions can induce charge separation, i.e., puddles of electrons…
It is shown that there is an overlooked mechanism whereby some kinds of dissipation can enhance the Benjamin-Feir instability of water waves. This observation is new, and although it is counterintuitive, it is due to the fact that the…
This study systematically investigates the effects of Ge, Ga, and Al doping on the mechanical and electronic properties of cubic Cr$_3$Si using first-principles density functional theory (DFT). Doping increases lattice constants from 4.50…
The electrical, magnetic, thermal and optical characteristics of Gallium (Ga) doped silicene are investigated using density functional theory (DFT). The effect of doping is studied by tuning dopant concentrations as well as examining varied…
An enhancement of vortex-motion damping in thin Pb/In superconducting films is obtained through coupling to an adjacent two-dimensional electron gas formed in a modulation-doped GaAs/AlGaAs heterostructure. This effect is observed by…
Enhancing superconductivity through material design is a central goal in quantum materials research. Moire engineering, where twisting stacked layers creates long-wavelength modulations and flat bands, has shown how electronic correlations…
The modulation of the transmitted (reflected) radiation due to change of interband transitions under variation of carriers concentration by the gate voltage is studied theoretically. The calculations were performed for strongly doped…
Novel or unusual magnetism is a subject of considerable interest, particularly in metals and degenerate semiconductors. In such materials the interplay of magnetism, transport and other Fermi liquid properties can lead to fascinating…
While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn$_{Ga}$), we investigate here whether alternate lattice sites are favored and what the magnetic…
Recent experiments in the underdoped regime of the hole-doped cuprates have found evidence for an incommensurate charge density wave state. We present an analysis of the charge ordering instabilities in a metal with antiferromagnetic…
Structural, electronic and thermodynamic properties of native defects in GaS and GaSe monolayers are investigated by means of accurate ab-initio calculations. Based on their charge transition levels we assess the influence of the studied…
We study the symmetry and the structure of the gap in Fe-based superconductors by decomposing the pairing interaction obtained in the RPA into s- and d-wave components and into contributions from scattering between different Fermi surfaces.…
Band edge and energy levels of truncated pyramidal In_x Ga_(1-x) As/GaAs (001) quantum dots are studied by single-band effective mass approach, and the dependence to stoichiometric percentages is investigated. It is shown that enhancement…
In this work, the electronic and optical properties of a Nitrogen (N) or a Boron (B) doped BeO monolayer are investigated in the framework of density functional theory. It is known that the band gap of a BeO monolayer is large leading to…
We analyze enhancements in the magnitude of the self-energy for electrons far away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole…
We theoretically study self-consistent proximity effects in finite-sized systems consisting of ferromagnet ($\rm F$) layers coupled to an $s$-wave superconductor ($\rm S$). We consider both $\rm SF_1F_2$ and $\rm SH$ nanostructures, where…
Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…
A specific structure of doped graphene with substituted silicon impurity is introduced and ab. initio density-functional approach is applied for energy band structure calculation of proposed structure. Using the band structure calculation…