Related papers: Native point defects in CaS: A focus on doping lim…

The London penetration depth was measured in single crystals of self-doped Na$_{1-\delta}$FeAs (from under - to optimal - doping, $T_c$ from 14 to 27 K) and electron-doped Na(Fe$_{1-x}$Co$_{x}$)As with $x$ ranging from undoped, $x=0$ to…

Doping of La_2CuO_4 and La_{1.6}Nd_{0.4}CuO_4 with Sr gives rise to holes that locate pairwise at lattice-site O atoms. Such O atoms reside as lattice defects in the CuO_2 planes if the doping level x is below a watershed value, x < x^, but…

Imperfections in the crystal structure, such as point defects, can strongly modify the optical and transport properties of materials. Here, we study the effect of point defects on the optical and DC conductivities of single layers of…

Search for efficient materials for application in the fields of optoelectronics and photovoltaics are active areas of research across the world. The potential of compounds such as K${_3}$Cu${_3}$P${_2}$ is not yet fully realized. Therefore,…

In this work, we have systematically studied structural, electronic and magnetic properties of atomic scale defects in 2D transition metal dichalcogenides MX$_2$, (M = Mo and W; X = S, Se and Te) by density functional theory. Various types…

We have performed a first-principles study of the p- and n-type conductivity in CuIn$_{1-x}$Ga$_x$Se$_{2}$ due to native point defects, based on the HSE06 hybrid functional. Band alignment shows that the band gap becomes larger with $x$ due…

It is demonstrated that SC mechanism of doped Fe-based compounds is characteristic for itinerant electron systems with coexistence of both (e-e)- and (e-h)-pairing arising due to electron-phonon and Coulomb interactions, respectively. The…

Understanding the unique properties of ultra-wide band gap semiconductors requires detailed information about the exact nature of point defects and their role in determining the properties. Here, we report the first direct microscopic…

We computed the optical properties and the folded and unfolded band structure of Cu-doped KCl crystals. The calculations use the plane-wave pseudo-potential approach implemented in the ABINIT electronic structure package within the…

Solid-state sodium batteries require effective electrolytes that conduct at room temperature. The Na$_3$SbS$_4$ (Pn = P, Sb; Ch = S, Se) family have been studied for their high Na ion conductivity. The population of Na vacancies, which…

In this work, the concentration and temperature dependences of the superconducting gap of the HTSC cuprate in the orthorhombic phase are obtained within the framework of the Hubbard model taking into account the exchange mechanism of…

Motivated by the physics literature on "photonic doping" of scatterers made from "epsilon-near-zero" (ENZ) matrials, we consider how the scattering of time-harmonic TM electromagnetic waves by a cylindrical ENZ region $\Omega \times…

We report the experimental realization of an optical trap that localizes single Cs atoms ~215 nm from surface of a dielectric nanofiber. By operating at magic wavelengths for pairs of counter-propagating red- and blue-detuned trapping…

We report a comprehensive Cu $K$-edge RIXS investigation of $\rm La_{2-x}Sr_xCuO_4$ (LSCO) for 0$\leq$x$\leq$0.35, stripe-ordered $\rm La_{1.875}Ba_{0.125}CuO_4$ (LBCO), and $\rm La_{2}Cu_{0.96}Ni_{0.04}O_4$ (LCNO) crystals. The RIXS…

Defect physics of europium (Eu) doped GaN is investigated using first-principles hybrid density-functional defect calculations. This includes the interaction between the rare-earth dopant and native point defects (Ga and N vacancies) and…

The formation of heterogeneous lanthanide-ion clusters in CaF$_2$ was investigated experimentally and computationally. CaF$_2$ nanoparticles co-doped with 20~mol\% Yb$^{3+}$ and 2~mol\% Ln$^{3+}$ (Ln$^{3+}$ = Ce$^{3+}$, Pr$^{3+}$,…

The $(\pi,\pi)$ shadow band (SB) in La-based cuprate family (La214) was studied by angle-resolved photoemission spectroscopy (ARPES) over a wide doping range from $x=0.01$ to $x=0.25$. Unlike the well-studied case of the Bi-based cuprate…

Ceria (CeO$_2$) is a material of significant technological importance. A detailed understanding of the material's defect physics and chemistry is key to understanding and optimizing its properties. Here, we report a hybrid…

We report optical spectroscopic measurements on electron- and hole-doped BaFe2As2. We show that the compounds in the normal state are not simple metals. The optical conductivity spectra contain, in addition to the free carrier response at…

Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…