相关论文: Atomistic origin of doping-enhanced rapid crystall…

We report the synthesis and characterization of a series of antimony-doped SmFeAs1-xSbxO0.8F0.2 (x = 0, 0.01, 0.03, 0.05, 0.1, 0.2, and 0.3) bulks to investigate the twin doping effects on the superconducting properties of SmFeAs(O,F)…

The Hall effect and its associated anomalies offer an important means for describing superconducting property in cuprate compounds. Here, we investigate the electron- and hole-doping effects (implemented through Al- and Ag-doping,…

Recent advances in electrostatic gating provide a novel way to modify the carrier concentration in materials via electrostatic means instead of chemical doping, thus minimizing the impurity scattering. Here, we use first-principles Density…

Heusler alloys with Mn and Co have been found to exhibit interesting electronic and magnetic properties. Mn$_2$CoAl is well known SGS compound while Mn$_2$CoGa has weak half metallic character. By using plane wave pseudo-potential method,…

All-solid-state lithium batteries promise significant improvements in energy density and safety over traditional liquid electrolyte batteries. The Al-doped AlxLi7-3xLa3Zr2O12 (LLZO) solid-state electrolyte shows excellent potential given…

Recently, Chi Xu et al. predicted the phase-filling singularities (PFS) in the optical dielectric function (ODF) of the highly doped $n$-type Ge and confirmed in experiment the PFS associated $E_{1}+\Delta_{1}$ transition by advanced…

Tight-binding molecular dynamics (TBMD) is used to study the structural and electronic properties of silver clusters. The ground state structures of Ag clusters up to 21 atoms are optimized via TBMD combined with genetic algorithm (GA). The…

Single crystals of Ca(Fe1-xRux)2As2 (0<x<0.065) and Ca1-yLay(Fe0.973Ru0.027)2As2 (0<y<0.2) have been synthesized and studied with respect to their structural, electronic and magnetic properties. The partial substitution of Fe by Ru induces…

Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO$_2$, using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O…

We demonstrate how weak hybridization can lead to apparent heavy doping of 2d materials even in case of physisorptive binding. Combining ab-intio calculations and a generic model we show that strong reshaping of Fermi surfaces and changes…

This study examines the anomalous Hall effect (AHE) in the Heusler series \ce{Mn3Z} (Z=Ga, Ge, Sn), with a particular emphasis on the manipulation of non-collinear antiferromagnetic structures to enhance AHE. By employing density-functional…

Large high-quality single crystals of hole-doped iron-based superconductor (Ba$_{1-x}$K$_x$)Fe$_2$As$_2$ were grown over a broad composition range $0.22 \leq x \leq 1$ by inverted temperature gradient method. We found that high soaking…

The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…

Improving the performance of metallic implants increasingly relies on the development of multifunctional surface modifications that combine structural stability, bioactivity, and prevention of bacterial colonization. Medium-entropy alloys…

Superconducting single crystals of pure FeTe1 xSex and FeTe0.65Se0.35 doped with Co, Ni, Cu, Mn, Zn, Mo, Cd, In, Pb, Hg, V, Ga, Mg, Al, Ti, Cr, Sr or Nd into Fe ions site have been grown applying Bridgman's method. It has been found that…

The effect of dopants on the metallic glass forming ability is usually considered based on analysis of changes in the liquid structure or thermodynamics. What is missing in such considerations is an analysis of how a dopant changes the…

The structural, electronic, and optical properties of metal (Si, Ge, Sn, and Pb) mono- and co-doped anatase TiO$_{2}$ nanotubes are investigated, in order to elucidate their potential for photocatalytic applications. It is found that Si…

Eutectics of Sapphire/Yttrium-Aluminum garnet and Ce-doped Sapphire/Yttrium-Aluminum garnet (Ce up to 1 at.%) with a Chinese script microstructure were obtained by the method of horizontal directional crystallization in a carbon-containing…

Controllable doping in AlN and its alloys is essential for deep-ultraviolet light sources. Ionization energies for donors in AlN ($\mathrm{Si_{Al}}$, $\mathrm{S_N}$, $\mathrm{Se_N}$) are high. We report first-principles calculations…

We investigate the luminescence properties of 10 nm YAG nanoparticles doped with Ce ions at 0.2%, 4% and 13% that are designed as active probes for Scanning Near field Optical Microscopy. They are produced by a physical method without any…