Related papers: Atomic layer doping of Mn magnetic impurities from…
Ni-doped MoS$_2$ is a layered material with useful tribological, optoelectronic, and catalytic properties. Experiment and theory on doped MoS$_2$ has focused mostly on monolayers or finite particles: theoretical studies of bulk Ni-doped…
The progress of miniaturisation in integrated electronics has led to atomic and nanometre-sized dopant devices in silicon. Such structures can be fabricated routinely by hydrogen resist lithography, using various dopants such as phosphorous…
The electronic properties, exchange interactions, finite-temperature magnetism, and transport properties of random quaternary Heusler Ni$_{2}$MnSn alloys doped with Cu- and Pd-atoms are studied theoretically by means of {\it ab initio}…
Using X-ray photoelectron emission microscopy we have observed the coexistence of ferromagnetic and antiferromagnetic phases in a (3 at.%)Pd-doped FeRh epilayer. By quantitatively analyzing the resultant images we observe that as 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…
The fine control of magnetism and electronic structure is crucial since the interplay between magnetism and band topology can lead to various novel magnetic topological states including axion insulators, magnetic Weyl semimetals and Chern…
High-density structures of sub-surface phosphorus dopants in silicon continue to garner interest as a silicon-based quantum computer platform, however, a much-needed confirmation of their dopant arrangement has been lacking. In this work,…
Mono- and few-layer transition-metal dichalcogenides (TMDCs) provide opportunities for ideal two-dimensional semiconductors for electronic and optoelectronic devices. For electronic devices on TMDCs, it is essential to incorporate n- and/or…
Doping lithium-ion battery electrode materials LiMO$_2$ (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides…
Despite significant potential as energy storage materials for electric vehicles due to their combination of high energy density per unit cost and reduced environmental and ethical concerns, Co-free lithium ion batteries based off layered Mn…
We consider the double-exchange for systems in which doped electrons occupy degenerate orbitals, treating the realistic situation with double degenerate $e_g$ orbitals. We show that the orbital degeneracy leads in general to formation of…
Doping problems in GaN and in AlGaN alloys are addressed on the basis of state-of-the-art first-principles calculations. For n-type doping we find that nitrogen vacancies are too high in energy to be incorporated during growth, but silicon…
We demonstrate how hybridization between a two-dimensional material and its substrate can lead to an apparent heavy doping, using the example of monolayer TaS$_2$ grown on Au(111). Combining $\textit{ab-initio}$ calculations, scanning…
We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with 2 nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases:…
We investigate effects of doping on formation energy and concentration of oxygen vacancies at a metal oxide surface, using MgO (100) as an example. Our approach employs density-functional theory, where the performance of the…
We study the electron transport in a magnetically doped three dimensional topological insulator (TI) by taking the effects of impurity-impurity exchange interactions into account. The interactions between magnetic impurities give rise to…
Magnetically doped topological insulators enable the quantum anomalous Hall effect (QAHE) which provides quantized edge states for lossless charge transport applications. The edge states are hosted by a magnetic energy gap at the Dirac…
Graphene has vast promising applications on the nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the method of…
Resistivity, Hall effect, magnetoresistance and DC magnetization were measured in Mn and Zn doped Ba$_{0.5}$K$_{0.5}$Fe$_{2}$As$_{2}$ samples. It is found that the Mn-doping can depress the superconducting transition temperature drastically…
The layered material Mn$_3$Si$_2$Te$_6$, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, using density functional theory and classical Monte Carlo…