Related papers: The Properties of doping ZrCo
$\mathrm{HfO_2}$-based dielectrics are promising for nanoscale ferroelectric applications, and the most favorable material within the family is Zr-substituted hafnia, i.e., $\mathrm{Hf_{1-x}Zr_xO_2}$ (HZO). The extent of Zr substitution can…
New approaches for the design of alloy systems with multiprincipal elements is recently researched in refractory materials field. However, most research aimed at arc melting process with weakness of coarsening of grains and inhomogeneous…
Doped strontium titanate SrTiO$_3$ (STO) is one of the most dilute superconductors known today. The fact that superconductivity occurs at very low carrier concentrations is one of the two reasons that the pairing mechanism is not yet…
CeO2 and Ce0.9Zr0.1O2 are prepared from the sol-gel method to investigate and compare their electrochemical properties for supercapacitor applications. Structural, morphological, and elemental studies have been done for CeO2 and…
Ternary intermetallic half-Heusler (HH) compounds (XYZ) with 18 valence electron count viz. ZrCoSb, ZrNiSn, and ZrPdSn, have revealed promising thermoelectric properties. Exemplarily, it has been experimentally observed that a slight change…
We describe, within an ab-initio approach, the stabilization of the tetragonal phase vs. the monoclinic one in Yttrium-doped Zirconia. The process is believed to be influenced from different mechanisms. Indeed we show that there is a…
The variation in local atomic structure and chemical bonding of ZrHx (x=0.15, 0.30, 1.16) magnetron sputtered thin films are investigated by Zr K-edge (1s) X-ray absorption near-edge structure and extended X-ray absorption fine structure…
The electronic structures of TixZrx/2CoPbxTex, TixZrx/2Hfx/2CoPbxTex (x = 0.5), and the parent compound TiCoSb were investigated using the full potential linearized augmented plane wave method. The thermoelectric transport properties of…
We have investigated the effect of transition metal dopants on the local structure of the prototypical 0.75 Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-0.25 PbTiO$_3$ relaxor ferroelectric. We find that these dopants give rise to very different local…
Wurtzite-ZnO is a wide-bandgap polar material with a ferroelectric-switching barrier that is too high to utilize, but the barrier can be reduced and switching observed in substituted materials such as Zn0.5Mg0.5O. Here, we seek to…
We carry out temperature-dependent scanning tunneling microscopy (STM) studies of the charge density wave (CDW) compound ZrTe$_3$ which is intentionally doped with Hf. Previous bulk studies tie Hf doping to an enhancement of the CDW…
We observed a large decrease of Tc by no more than 3 at.% of Zn doped to the optimized superconductor LaFeAsO0.85 (Tc = 26 K), confirmed by measurements of electrical resistivity, magnetic susceptibility, specific heat, M\"ossbauer…
Conventional Oxide dispersion strengthened steels are characterized by thermally stable, high density of Y-Ti-O nanoclusters, which are responsible for their high creep strength. Ti plays a major role in obtaining a high density of…
We have developed a simple, surfactant assisted synthesis route for the preparation, in gram quantities, of Co and Li doped ZnO nanocrystalline samples showing robust room temperature ferromagnetism. Our studies show that RTF is intrinsic…
Two-dimensional transition metal trichalcogenides (TMTC's) feature covalently bonded metal-chalcogen layers separated by the van der Waals (vdW) gap. Similar to transition metal dichalcogenides (TMDCs), TMTCs often host charge density waves…
We develop a sub-lattice phase-field model of Hf1-xZrxO2 incorporating zirconium (Zr) concentration (x)-dependence. Our framework expands the time-dependent Ginzburg-Landau (TDGL) equation to the sub-lattice level and incorporates…
A large body of literature within the additive manufacturing (AM) community has focused on successfully creating stable tungsten (W) microstructures due to significant interest in its application for extreme environments. However,…
Zincblende copper iodide has been attracting growing interest as p-type semiconductor for applications in transparent electronics and transparent thermoelectrics. A key step towards technological applications is the possibility to enhance…
A tetragonal phase is predicted for Hf2O3 and Zr2O3 using density functional theory. Starting from atomic and unit cell relaxations of substoichiometric monoclinic HfO2 and ZrO2, such tetragonal structures are only reached at zero…
Tailoring and improving material properties by alloying is a long-known and used concept. Recent research has demonstrated the potential of ab initio calculations in understanding the material properties at the nanoscale. Here we present a…