相关论文: Atomistic origin of doping-enhanced rapid crystall…

(Fe,Co)$_2$B-based compounds with specified 5$d$ substitutions are considered as promising materials for permanent magnets without rare-earth elements. We conducted a combined first-principles and experimental study focused on…

Adjusting chemical pressure through doping is a highly effective method for customizing the chemical and physical properties of materials, along with their respective phase diagrams, thereby uncovering novel quantum phenomena. Here, we…

Colloids that interact via a short-range attraction serve as the primary building blocks for a broad range of self-assembled materials. However, one of the well-known drawbacks to this strategy is that these building blocks rapidly and…

Effect of L-threonine (LT) doping on crystalline perfection, second harmonic generation (SHG) efficiency, optical transparency and laser damage threshold (LDT) in potassium dihydrogen phosphate (KDP) crystals grown by slow evaporation…

We have performed x-ray absorption spectroscopy (XAS) and x-ray photoemission spectroscopy (XPS) studies of single crystal Ba_{1-x}K_{x}BiO_{3} (BKBO) covering the whole composition range $0 \leq x \leq 0.60$. Several features in the oxygen…

We have studied the structure of $^4$He droplets doped with magnesium atoms using density functional theory. We have found that the solvation properties of this system strongly depend on the size of the $^4$He droplet. For small drops, Mg…

Doping dependence of the superconducting state structure and spin-fluctuation pairing mechanism in the $Ba(Fe_{1-x}Co_{x})_{2}As_{2}$ family is studied. BCS-like analysis of experimental data shows that in the overdoped regime, away from…

The incorporation paths of Be in GaAs nanowires grown by the Ga-assisted method in molecular beam epitaxy has been investigated by electrical measurements of nanowires with different doping profiles. We find that Be atoms incorporate…

Single crystals of Fe(1+x)Te(1-y)Se(y) have been grown with a controlled Fe excess and Se doping, and the crystal structure has been refined for various compositions. The systematic investigation of magnetic and superconducting properties…

AgF$_2$ is a correlated charge-transfer insulator with properties remarkably similar to insulating cuprates which have raised hope that it may lead to a new family of unconventional superconductors upon doping. We use ab initio computations…

This work investigates how site-specific doping can enhance the thermoelectric performance of tetragonal Cu$_{2}$S using Density functional Theory and Projected Atomic Orbital Framework for Electronic Transport. We address the gap in…

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…

The effects of isovalent doping on the superconducting transition temperature Tc in novel 112-type iron arsenide Ca1-xLaxFeAs2 were studied by conducting measurements of electrical resistivity rho and magnetization M. P or Sb doping…

SnSe monolayer with orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the…

The electronic properties of Fe-based superconductors are drastically affected by deformations on their crystal structure introduced by doping and pressure. Here we study single crystals of FeSe$_{1-x}$S$_{x}$ and reveal that local crystal…

This study investigates the structural, electronic, and catalytic properties of pristine and doped C$_4$N$_2$ nanosheets as potential electrocatalysts for the hydrogen evolution reaction. The pristine C$_{36}$N$_{18}$ nanosheets exhibit…

Superconductivity in ultra-doped $Si_{1-x}Ge_{x}:B$ epilayers is demonstrated by nanosecond laser doping, which allows introducing substitutional B concentrations well above the solubility limit and up to $7\,at.\%$. A Ge fraction $x$…

We investigated the influence of different Ag additions (up to 10 wt %) on the superconducting properties of FeSe0.94. The structural investigations (XRD and SEM) indicated that Ag is present in three different forms. Ag at grain boundaries…

Hybrid Monte Carlo (MC)/molecular dynamics (MD) simulations are conducted to study the microstructures of nanocrystalline (nc) Cu/Ag alloys with various Ag concentrations. When the Ag concentration is below 50 Ag atoms/nm!, an increase in…

We report on doping dependencies of structural parameters and superconducting transition temperatures in the solid solution (Ba1-xKx)Fe2As2. As the main effect of doping on the crystal structure, we find linear decreasing As-Fe-As bond…