Related papers: Bonding Structures of ZrHx Thin Films by X-ray Spe…
The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here,…
Thermoelectric materials based on earth-abundant and non-toxic elements are very useful in cost-effective and eco-friendly waste heat management systems. The constituents of SrGaSnH are earth-abundant and non-toxic, thus we have chosen…
Thin films of CdTe were deposited on glass substrates by thermal evaporation. From the XRD measurements itis found that the films are of zinc-blende-type structure. Transmittance, absorption, extinction, and refractive coefficients are…
Using angle resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations we studied the low-energy electronic structure of bulk ZrTe$_2$. ARPES studies on ZrTe$_2$ demonstrate free charge carriers at the…
We present the first systematic measurement of the binding energy $E_a$ of hydrogen atoms to the surface of saturated $^3$He-$^4$He mixture films. $E_a$ is found to decrease almost linearly from 1.14(1) K down to 0.39(1) K, when the…
The ferrimagnetic spinel oxide Zn(x)Fe(3-x)O(4) combines high Curie temperature and spin polarization with tunable electrical and magnetic properties, making it a promising functional material for spintronic devices. We have grown epitaxial…
Magnetic anisotropies of Co-implanted ZnO (0001) films grown on single-crystalline Al2O3 (11-20) substrates have been studied by ferromagnetic resonance (FMR) technique for different cobalt implantation doses. The FMR data show that the…
Relying on generalized-gradient and hybrid first-principles simulations, this work provides a complete characterization of the electronic properties of ZnO ultra-thin films, cut along the Body-Centered-Tetragonal(010), Cubane(100),…
Using density-functional theory with ultrasoft pseudopotentials, we previously investigated the structural and electronic properties of the low-pressure (cubic, tetragonal, and monoclinic) phases of ZrO2 and HfO2, in order to elucidate…
By means of theoretical modeling and experimental synthesis and characterization, we investigate the structural properties of amorphous Zr-Si-C. Two chemical compositions are selected, Zr0.31Si0.29C0.40 and Zr0.60Si0.33C0.07. The amorphous…
H2O is an important constituent in planetary bodies, controlling habitability and, in geologically-active bodies, plate tectonics. At pressures within the interior of many planets, the H-bonds in H2O collapse into stronger, ionic bonds.…
The structural and magnetic properties of Zn/Al doped nickel ferrite thin films can be adjusted by changing the Zn and Al content. The films are epitaxially grown by reactive magnetron sputtering using a triple cluster system to sputter…
Electronic band structure and optical properties of zinc monochalcogenides with zinc-blende- and wurtzite-type structures were studied using the ab initio density functional method within the LDA, GGA, and LDA+U approaches. Calculations of…
1.8 micrometer-thick magnesium hydride films were synthesized in a single-step process by reactive plasma-assisted sputtering. The MgH2 thin films, which were deposited on two types of flexible surfaces (namely graphite and polyimide foils)…
We report on the near edge X-ray absorption fine structure (NEXAFS) spectroscopy of hybrid organic-inorganic resists. These materials are nonchemically amplified systems based on Si, Zr, and Ti oxides, synthesized from organically modified…
Sol-gel derived thin films of Zn0.95Mn0.05O have been implanted with Ar9+ ions with doses viz. 5x10e14 ions/cm2 (low), 1x10e15 ions/cm2 (intermediate) and 1x10e16 ions/cm2 (high). Structural, morphological, optical and magnetic properties…
Magneto-structural properties of films of diluted ferromagnetic alloys Ni$_x$Cu$_{1-x}$ in the concentration range $0.7 < x < 1.0$ are studied experimentally. Films deposited by magnetron sputtering show partial phase separation, as…
We combine infrared absorption and Raman scattering spectroscopies to explore the properties of the heavy transition metal dichalcogenide 1T-HfS$_2$. We employ the LO-TO splitting of the $E_u$ vibrational mode along with a reevaluation of…
We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th$_2$Al and Th$_2$AlH$_4$ using generalized-gradient-corrected first-principles full-potential…
Based on first-principles calculations we show that the oxidation of ultrathin films of Ca$_2$N electrides, electrenes, drives a hexagonal$\rightarrow$tetragonal structural transition. The ground state configuration of the oxidized…