Related papers: Doping icosahedral Fe$_{13}$ with 3d transition el…
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
We report the effect of 3d metal Cobalt (Co) and Nickel (Ni) doping on the FeTe0.5Se0.5 superconductor with the nominal composition range Fe1-xMxTe0.5Se0.5 (M = Co, Ni and x = 0.00, 0.01 0.02, 0.05, and 0.10). Samples are synthesized…
The technological settings of a modified sol-gel method for preparation of highly fine homogeneous powder Ca2CuO3 doped with uranium 238 (x=0-0.05) is presented. The analysis of structure, purity of phases and the justification for the role…
First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical properties of ferromagnetic body-centered cubic (bcc)…
Mixed solid compounds are employed in a vast array of applications so an accurate determination of their chemical compositions is of crucial importance. All current characterization methods require specially-treated samples so the…
Since hydrogen fuel involves the highest energy density among all fuels, production of this gas through the solar water splitting approach has been suggested as a green remedy for greenhouse environmental issues due to extensive consumption…
The discovery of superconductivity in copper oxide compounds has attracted considerable attention over the past three decades. The high transition temperature in these compounds, exhibiting proximity to an antiferromagnetic order in their…
Monolayer films of FeSe grown on SrTiO$_3$ substrates are electron doped relative to bulk and exhibit a significantly higher superconducting transition temperatures. We present density functional calculations and a modified Schottky model…
The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field…
The electrical functionality of an array of semiconductor nanocrystals depends critically on the free carriers that may arise from impurity or surface doping. Herein, we used InAs nanocrystals thin films as a model system to address the…
We report the doping high concentration of tetravalent Ge4+ ions (5 mol % for x = 0.05 to 30 mol % for x = 0.30) at the Fe3+ sites of Fe2-xGexO3 system by chemical coprecipitation route. The charge state of Fe and Ge ions has been modified…
The properties of $\mathrm{MoS_2}$ can be tuned or optimized through doping. In particular, Ni doping has been shown to improve the performance of $\mathrm{MoS_2}$ for various applications, including catalysis and tribology. To enable…
Motivated by the ongoing interest in nitrides as materials for spintronics applications we have studied effects of doping with magnetic transition-metal elements (T=Cr,Mn,Fe,Co and Ni) on the electronic properties of semiconducting scandium…
Chemical doping of topological materials may provide a possible route for realizing topological superconductivity. However, all such cases known so far are based on chalcogenides. Here we report the discovery of superconductivity induced by…
Nominally 45 nm GaN:Mg/ 5 nm (Ga,Mn)N / 45 nm GaN:Mg trilayers structures prepared by molecular beam epitaxy on GaN-buffered Al2O3 substrates are investigated to verify whether the indirect co-doping by holes from the cladding layers can…
Doping of semiconductors by impurity atoms enabled their widespread technological application in micro and opto-electronics. For colloidal semiconductor nanocrystals, an emerging family of materials where size, composition and shape-control…
We study the electronic structure and magnetism of 25% Mn substituted cubic Zirconia (ZrO2) with several homogeneous and heterogeneous doping profiles using density-functional theory calculations. We find that all doping profiles show…
The introduction of magnetism in SnTe-class topological crystalline insulators is a challenging subject with great importance in the quantum device applications. Based on the first-principles calculations, we have studied the defect…
Using first-principles calculations, we perform a search for high-capacity hydrogen storage media based on individually dispersed calcium atoms on doped or defective carbon nanotubes. We find that up to six H2 molecules can bind to a Ca…
The multipole response of $^3$He$_N$ drops doped with very attractive impurities, such as a Xe atom or an SF$_6$ molecule, has been investigated in the framework of the Finite Range Density Functional Theory and the Random Phase…