Related papers: Superconductivity in heavily vacant diamond
The three-band \emph{d-p} model is investigated by means of Variational Monte-Carlo (VMC) method with the BCS-like wave-function supplemented by the Gutzwiller and Jastrow correlators. The VMC optimization leads to $d$-$wave$…
We characterize a high-density sample of negatively charged silicon-vacancy (SiV$^-$) centers in diamond using collinear optical multidimensional coherent spectroscopy. By comparing the results of complementary signal detection schemes, we…
The dominating superconducting pairing symmetry of the kagome-lattice Hubbard model is investigated using the determinant quantum Monte Carlo method. The superconducting instability occurs when doping the correlated insulators formed by the…
Intuitively, doping represents one of the most promising avenues for optimization of best prospect superconductors (SC) such as conventional high-pressure SCs with record critical temperatures. However, doping at high pressure (HP) is very…
We study spin-fluctuation-mediated superconductivity in the one-band Hubbard model. Higher order effective interactions in $U$ give rise to a superconducting instability which is very sensitive to changes in the Fermi surface topology…
Heavy carbon doping of MgB$_2$ is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(B$_{1-x}$C$_{x}$)$_{2}$,x=0.0833) and also the coherent potential approximation method that incorporates…
The three-band model relevant to high temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per…
We investigate interplay between magnetic fluctuations and superconductivity in the effective five-band Hubbard model for iron-oxypnictide superconductors on the basis of the fluctuation-exchange approximation. As for the normal-state…
We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are…
We analyze doping dependence of the spin resonance of an s+- superconductor and its sensitivity to the ellipticity of electron pockets, to magnetic and non-magnetic impurities, and to the angle dependence of the superconducting gap along…
The anti-perovskite superconductor MgC$_{0.93}$Ni$_{2.85}$ was studied using high-resolution x-ray Compton scattering combined with electronic structure calculations. Compton scattering measurements were used to determine experimentally a…
Like in any other semiconductor, point defects in transition-metal dichalcogenides (TMDs) are expected to strongly impact their electronic and optical properties. However, identifying defects in these layered two-dimensional materials has…
Electronic interactions in multiorbital systems lead to non-trivial features in the optical spectrum. In iron superconductors the Drude weight is strongly suppressed with hole-doping. We discuss why the common association of the…
Using density-functional-based method, we study the k-resolved sigma- and pi-band holes in Mg_{1-x}Al_{x}B_{2} and Mg(B_{1-y}C_{y})_{2} alloys. We find that the calculated profiles of the loss of sigma- and pi-band holes in these two…
The atomic orbital basis and atomic pseudopotential for electron-ion interaction in framework of density function theory used to calculate C70H84 spin polarized diamond cluster with neutral vacancy. The band gap has been found to be 1.70…
To gain insight into the unconventional superconductivity of Fe-pnictides with no electron pockets, we measure the thermal conductivity $\kappa$ and penetration depth $\lambda$ in the heavily hole-doped regime of…
The proximity effect refers to the phenomenon whereby superconducting properties are induced in a normal conductor that is in contact with an intrinsically superconducting material. In particular, the combination of nano-structured…
First principles calculations have been used to investigate the trends on the properties of isolated 3d transition metal impurities (from Sc to Cu) in diamond. Those impurities have small formation energies in the substitutional or double…
Experiments on (Ga,Mn)As in the low-doping insulating phase have shown evidence for the presence of an impurity band at 110 meV above the valence band. The motivation of this paper is to investigate the role of the impurity band in…
Using an atomistic first principles approach, we investigate the band offset of the GaAs/AlxGa1-xAs heterojunctions for the entire range of the Al doping concentration 0<x<=1. We apply the coherent potential approach to handle the…