Related papers: Magnetic doping of a thiolated-gold superatom
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…
In the present work, we have prepared Mn-doped Ge using different annealing approaches after Mn ion implantation, and obtained samples with hole concentrations ranging from 10^18 to 2.1x10^20 cm^-3, the latter being the highest reported so…
In cuprates, electron doping yields a much lower superconducting $T_c$ than hole doping. For recently discovered nickelate superconductors, the analogous doping strategies become more challenging. Consequently, while hole-doped…
Chemical doping has recently become a very important strategy to induce superconductivity especially in complex compounds. Distinguished examples include Ba-doped La$_2$CuO$_4$ (the first high temperature superconductor), K-doped BaBiO$_3$,…
We realize Mn $\delta$-doping into Si and Si/Ge interfaces using Mn atomic chains on Si(001). Highly sensitive X-ray absorption fine structure techniques reveal that encapsulation at room temperature prevents the formation of silicides /…
This article presents the results of several magnetic phases of doped La$_{2-x}$Sr$_x$CuO$_4$ using density-functional theory with an added Hubbard term (DFT+U). Doping factors from $x=0$ to 0.25 were examined. We found that a bond centered…
We study the effects of electron doping in Mott insulators containing d^4 ions such as Ru4+, Os4+, Rh5+, and Ir5+ with J=0 singlet ground state. Depending on the strength of the spin-orbit coupling, the undoped systems are either…
The electron doped manganite system, Bi0.125Ca0.875MnO3, exhibits large bulk magnetization of unknown origin. To select amongst possible magnetic ordering models, we have conducted temperature and magnetic field dependent small-angle…
We demonstrate that delta-doping can be used to create a dimensionally confined region of metallic ferromagnetism in an antiferromagnetic (AF) manganite host, without introducing any explicit disorder due to dopants or frustration of spins.…
Mn-doped SrTiO_3.0, when synthesized free of impurities, is a paramagnetic insulator with interesting dielectric properties. Since delocalized charge carriers are known to promote ferromagnetism in a large number of systems via diverse…
We study magnetic properties of NdFe$_{11}$Ti$X$, where $X$=B, C, N, O, and F, by using the first-principles calculation based on the density functional theory. Its parent compound NdFe$_{11}$Ti has the ThMn$_{12}$ structure, which has the…
In this paper the magnetic behaviour of SmFeAsO and SmFeAs(O0.85F0.15) samples is presented and discussed. Molar susceptibility of SmFeAsO exhibits a local peak at T around 140K due to the establishment of a long range antiferromagnetic…
Density-functional theory based global geometry optimization is used to scrutinize the possibility of endohedral doping of hydrogenated Si fullerenes as a route to Si nanostructures with high magnetic moments. In contrast to previous…
The recent discovery of high thermoelectric performance in Mg$_3$Sb$_2$ has been critically enabled by the success in $n$-type doping of this material, which is achieved under Mg-rich growth conditions, typically with chalcogens (Se, Te) as…
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…
Two-dimensional (2D) quartic dispersion materials are known to develop magnetization upon doping. Here we conduct a systematic investigation of magnetization in hole-doped quartic dispersion materials (GaS, InSe, TiO$_{2}$), focusing on the…
Magnetic topological materials, in which strong correlations between magnetic and electronic properties of matter, give rise to various exotic phenomena such as anomalous Hall effect (AHE), topological Hall effect (THE), and skyrmion…
High-transition-temperature (high-Tc) superconductivity develops near antiferromagnetic phases, and it is possible that magnetic excitations contribute to the superconducting pairing mechanism. To assess the role of antiferromagnetism, it…
Magnetic impurities provide a route toward increasing functionality in electronic materials, often enabling new device concepts and architectures. In the case of topological semimetals, dilute magnetic doping presents a particularly…
The structural stability, electronic structure, and bonding characteristics of the silver-doped boron cluster B18Ag2 were investigated using density functional theory (DFT) combined with global optimization techniques. Basin-hopping…