Related papers: Atomistic origin of doping-enhanced rapid crystall…
High $ZT$ value and large Seebeck coefficient have been reported in the nanostructured Fe-doped Si-Ge alloys. In this work, the large Seebeck coefficient in Fe-doped Si-Ge systems is qualitatively reproduced from the computed electronic…
The Rietveld refinement of the polycrystalline powders of 1% Fe and Mn-doped (Na0.5Bi0.5)0.94Ba0.06Ti0.98V0.02O3 at the Ti-site confirmed a single rhombohedral (R3c) phase. The bandgap, (Eg) was affected by the anti-phase octahedral tilt…
As a first step to porting scanning tunneling microscopy methods of atomic-precision fabrication to a strained-Si/SiGe platform, we demonstrate post-growth P atomic-layer doping of SiGe heterostructures. To preserve the substrate structure…
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field…
Detailed doping dependence of the electronic specific heat coefficient gamma is studied for La2-xSrxCuO4 (LSCO) single crystals in the slightly-doped regime. We find that gamma systematically increases with doping, and furthermore, even for…
Combined static and molecular dynamics first-principles calculations are used to identify a direct structural link between the metastable crystalline and amorphous phases of Ge2Sb2Te5. We find that the phase transition is driven by the…
The atomically precise method has become an important technique to adjust the core of thiolate-protected gold nanoclusters to improve physical and chemical properties. But the doping effect on the structural stability has not been…
The substitutional dependence of valence and spin-state configurations of Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ ($x =$ 0, 0.05, 0.11, 0.17, and 0.38) is investigated with near-edge x-ray absorption fine structure at the $L_{2,3}$ edges of Fe, Co,…
Ge-on-Si structures with three different dopants (P, As and B) and those without intentional doping were grown and annealed. Several different materials characterization methods have been performed to characterize the Ge film quality. All…
Herein, the structure and stability of double icosahedron Ag$_{17}$M$_2$ (M = Ni, Cu, Zn) clusters are investigated using density functional theory (DFT) computations. The results indicate that the clusters favor endohedral configurations…
We carried out X-ray diffraction and Extended X-ray Absorption Fine Structure (EXAFS) studies to investigate the origin of the low lattice thermal conductivity in BiCuSeO, and the role of silver (Ag) doping in doped samples. BiCuSeO is a…
Fe-clad BaxK1-xFe2As2 superconducting tapes were fabricated by the ex situ powder-in-tube method combined with a short high-temperature annealing technique. The effect of annealing time and different dopants on the transport properties of…
A new doping mechanism is described, whereby a doping impurity does not simply transfer charge to the bands of a host semiconductor or semimetal, but rearranges the core energy levels deep in the valence band of the host. This, in turn,…
In this work, doping-defect interactions relevant to self-compensation in p-type GaN were investigated using atom probe tomography. The 3D visualization of ion distribution revealed the formation of spherical Mg-rich clusters and the…
Doping-induced superconductivity in group IV elements may enable quantum functionalities in material systems accessible with well-established semiconductor technologies. Non-equilibrium hyperdoping of group III atoms into C, Si, or Ge can…
The mechanisms underlying the enhancement of magnetic anisotropies (MAs) of Sm ions, owing to valence electrons at the Sm site and the screened nuclear charges of ligands, are clarified using a detailed analysis of crystal fields (CF). In…
We present an EXAFS study of the Mn atomic environment in Mn-doped GaAs nanowires. Mn doping has been obtained either via the diffusion of the Mn used as seed for the nanowire growth or by providing Mn during the growth of Au-induced wires.…
We study the effect of hole-doping and chemical pressure (isovalent doping) in single crystals of K$_x$Eu$_{1-x}$Fe$_2$As$_2$ and EuFe$_2$(As$_{1-y}$P$_y$)$_2$, respectively, by measurements of the thermopower, $S(T)$, and electrical…
Co doped ZnV2O4 has been investigated by Synchrotron X-ray diffraction, Magnetization measurement and Extended X-ray absorption fine structure (EXAFS) analysis. With Co doping in the Zn site the system moves towards the itinerant electron…
Mg2NiH4 is a promising hydrogen storage material with fast (de)hydrogenation kinetics. Its hydrogen desorption enthalpy, however, is too large for practical applications. In this paper we study the effects of transition metal doping by…