Related papers: Atomic layer doping of Mn magnetic impurities from…
We present a study of p-type doping of CdTe and Cd$_{1-x}$Mn$_x$Te quantum wells from surface states. We show that this method is as efficient as usual modulation doping with nitrogen acceptors, and leads to hole densities exceeding $2…
Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…
The interlayer antiferromagnetic coupling hinders the observation of quantum anomalous Hall effect in magnetic topological insulator MnBi$_2$Te$_4$. We demonstrate that interlayer \textit{ferromagnetism} can be established by utilizing the…
Changing the morphology of the growing surface and the nature of residual impurities in (Ge,Mn) layers - by using different substrates - dramatically changes the morphology of the ferromagnetic Mn-rich inclusions and the magnetotransport…
Combining theory and certain striking phenomenology we suggest that silicene and germanene are \textit{elemental Mott insulators} and abode of doping induced high Tc superconductivity. In our theory, a 3 fold reduction in silicene $\pi -…
Control of dopants in silicon remains the most important approach to tailoring the properties of electronic materials for integrated circuits, with Group V impurities the most important n-type dopants. At the same time, silicon is finding…
We study magnetism in the electron-doped infinite-layer nickelate NdNiO$_2$. We perform an unrestricted Hartree-Fock calculation for a tight-binding model which contains both nickel and neodymium orbitals. We reproduce the self-doping…
The dissociation of hydrogen molecules on the \gamma-U(100) surface is systematically studied with the density functional theory method. Through potential energy surface calculations, we find that hydrogen molecules can dissociate without…
We study magnetotransport in a rare earth doped topological insulator, Sm0.1Sb1.9Te3 single crystals, under magnetic fields up to 14 T. It is found that that the crystals exhibit Shubnikov de Haas oscillations in their magneto-transport…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
Flat monolayers of silver II fluoride, which could be obtained by epitaxial deposition on an appropriate substrate, have been recently predicted to exhibit very strong antiferromagnetic superexchange and to have large potential for ambient…
Crystalline Si substrates are doped by laser annealing of solution processed Si. For this experiment, dispersions of highly B-doped Si nanoparticles (NPs) are deposited onto intrinsic Si and laser processed using an 807.5nm cw-laser. During…
The structural, optical and magnetic properties of the Zn1-xMnxO (0 < x < 0.05) thin films synthesized by sol-gel technique have been analyzed in the light of modification of the electronic structure and disorder developed in the samples…
Manganese-doped zinc sulfide nanocrystalline thin films were synthesized using a low-temperature chemical bath deposition and deposited on glass substrates for controlled durations using triethanolamine (TEA) as a complexing and capping…
Surface doping of ZnO allows for tailoring the surface chemistry of the material while preserving the superb electronic structure of the bulk. Apart from obvious changes in adsorption energies and activation energies for catalysis, surface…
Ab initio calculations within the density-functional theory formalism are performed to investigate the ground state, electric charge doping, and electronic properties of titanium and titanium dioxide monolayers adsorbed on a graphene…
Recent experimental work has realized a new insulating state of samarium nickelate (SmNiO$_3$), accessible in a reversible manner via high-density electron doping. To elucidate this behavior, we use the first-principles density functional…
We report a detailed first-principles study of doping in Li$_2$MnO$_3$, in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most…
We investigate the effects of transition metals (TM) on the electronic doping and scattering in graphene using molecular beam epitaxy combined with in situ transport measurements. The room temperature deposition of TM onto graphene produces…
Dilute magnetic semiconductors, achieved through substitutional doping of spin-polarized transition metals into semiconducting systems, enable experimental modulation of spin dynamics in ways that hold great promise for novel…