Related papers: Do Transition Metal Substitutions Dope Carriers in…
The effects of copper doping on the structural and superconducting phase transitions of Ba(Ni$_{1-x}$Cu$_{x}$)$_{2}$As$_{2}$ were studied by examining the resistivity, magnetic susceptibility, and specific heat. We found an abrupt increase…
By substituting Fe with the 5d-transition metal Pt in BaFe2As2, we have successfully synthesized the superconductors BaFe2-xPtxAs2. The systematic evolution of the lattice constants indicates that the Fe ions were successfully replaced by…
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…
Charge redistribution at high-Tc superconductor interfaces and grain boundaries on the one hand is problematic for technological application. On the other hand, it gives rise to a great perspective for tailoring the local electronic states.…
In metal/degenerately doped silicon bilayer structure, the interfacial flexoelectric effect due to strain gradient leads to charge carrier transfer from metal layer to the silicon layer. This excess charge carrier concentration is called…
We study antimony doping effects in the iron-based superconductor CaFe(Sb$_{x}$As$_{1-x}$)$_{2}$ by using the first-principle calculation. The calculations reveal that the substitution of the doped antimony atom into As of the chainlike As…
Making devices with graphene necessarily involves making contacts with metals. We use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au and Pt, while…
Transition metal dichalcogenides (TMDs) display a rich variety of instabilities such as spin and charge orders, Ising superconductivity and topological properties. Their physical properties can be controlled by doping in electric…
In doped Hund's metals, such as the iron-based superconductors, effects like charge doping and chemical pressure are often considered the dominant factors. Partial chemical substitution, however, inevitably introduces disorder. Here, we…
Controlling the metal-insulator transition in graphene-based material is a crucial topic as it directly impacts its potential applications. Inspired by recent experiments, we study the effects of doping and bond disorder on metal-insulator…
We propose a possible scenario for the new metallic conductivity of underdoped and optimally doped cuprates. Charge carriers are assumed to be large polarons which form a Fermi-liquid and Cooper-like pairs below a crossover tempurature…
Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in MgB2 with C and Be alone and combined with alloying of the Mg site with Cu. The effect of such substitutions on the…
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…
Effects of electron doping on the BiS$_2$-based superconductors Sr$_{1-x}$La$_x$FBiS$_2$ ($0\le x\le 0.6$) have been investigated using the systematically synthesized polycrystals. The pristine compound is a band insulator with the BiS$_2$…
This study investigates Mn-Zn ferrites (nominal composition \ce{Mn_{0.5}Zn_{0.5}Fe2O4}, MZF) substituted with tetravalent (\ce{Si^{4+}}), trivalent (\ce{Co^{3+}}), and divalent (\ce{Ca^{2+}}, \ce{Mg^{2+}}, \ce{Sn^{2+}}) ions. We…
We report a breakdown of the scaling of the antiferromagnetic transition temperature T_N on chemical doping for Pt-doped CaFe2As2. The substitution of Pt is ineffective in the reduction of antiferromagnetic ordering as well as in inducing…
Recent transport experiments in the cuprate superconductors linked the opening of the pseudogap to a change in electronic dispersion [S. Badoux et al., Nature 531, 210 (2015)]. Transport measurements showed that the carrier density sharply…
The influence of substitutional disorder on the transport properties of heavy-fermion systems is investigated. We extend the dynamical mean-field theory treatment of the periodic Anderson model (PAM) to a coherent-potential approximation…
Electronic interactions in multiorbital systems lead to non-trivial features in the optical spectrum. In iron superconductors the Drude weight is strongly suppressed with hole-doping. We discuss why the common association of the…
In the iron-based superconductors, understanding the relation between superconductivity and electronic structure upon doping is crucial for exploring the pairing mechanism. Recently it was found that in iron selenide (FeSe), enhanced…