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Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface. Particular attention is paid to the mobility of oxygen…

Materials Science · Physics 2014-03-24 Conn O'Rourke , David R. Bowler

By the first-principles electronic structure calculations, we have studied electronic structures of FeSe monolayer and bilayer thin films on SrTiO$_3$ (001) with SrO-termination or TiO$_2$ termination. We find that both FeSe monolayer and…

Superconductivity · Physics 2012-06-18 Kai Liu , Zhong-Yi LU , Tao Xiang

The incorporation site of Er dopants inserted at high and low concentration (respectively 5 and 0.5 mol %) in nanoparticles of CaF 2 is studied by X-ray Absorption Spectroscopy (XAS) at the Er L III edge. The experimental data are compared…

By means of first-principles density-functional theory (DFT) calculations, we perform a comparative analysis of the electronic and magnetic properties of transition metal-doped TiO$_2$. The electronic band gaps of Ti$_x$M$_{1-x}$O$_2$,…

Materials Science · Physics 2026-01-26 Vikash Mishra , Shashi Pandey , Swaroop Ganguly , Alok Shukla

A cluster deposition method was used to produce films of loosely aggregated nanoclusters (NC) of Fe core-Fe3O4 shell or fully oxidized Fe3O4. Films of these NC on Si(100) or MgO(100)/Fe3O4(100) were irradiated to 10^16 Si2+/cm2 near room…

The electronic structure of pulsed laser deposited Mo1-xFexO2 (x=0, 0.02 and 0.05) thin films has been investigated using resonant photoemission spectroscopy near Mo-4p absorption edge. In all the samples a broad Fano- like resonance peak…

Materials Science · Physics 2008-08-11 Ram Prakash , R. J Choudhary , D. M. Phase

The over threshold carbon-loadings (~50 at.%) of initial TiO2-hosts and posterior Cu-sensitization (~7 at.%) was made using pulsed ion-implantation technique in sequential mode with 1 hour vacuum-idle cycle between sequential stages of…

We report the doping high concentration of tetravalent Ge4+ ions (5 mol % for x = 0.05 to 30 mol % for x = 0.30) at the Fe3+ sites of Fe2-xGexO3 system by chemical coprecipitation route. The charge state of Fe and Ge ions has been modified…

Materials Science · Physics 2023-09-08 Divya Sherin G T , R. N Bhowmik

Adsorption of Fe on the rutile (110)-surface is investigated by means of {\it ab initio} density functional theory calculations. We discuss the deposition of single Fe atoms, an increasing Fe coverage, as well as the adsorption of small Fe…

Materials Science · Physics 2013-10-30 Anna Gruenebohm , Heike C. Herper , Peter Entel

Substitutional tungsten doping of VO$_{\text{2}}$ thin films and its effect on the metal-to-insulator transition are investigated by means of X-ray diffraction, Cs-corrected scanning transmission electron microscope (STEM) and ab-initio…

Materials Science · Physics 2014-12-08 Xiaoyan Li , Alexandre Gloter , Alberto Zobelli , Hui Gu , Xun Cao , Ping Jin , Christian Colliex

The Co-doped anatase TiO$_{2}$, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-wave formalism within the local-spin-density approximation…

Materials Science · Physics 2007-05-23 Hongming Weng , Xiaoping Yang , Jinming Dong , H. Mizuseki , M. Kawasaki , Y. Kawazoe

In this study, we demonstrate the successful fabrication of TiO2/FeSe/STO and TiO2/FeSe/LaAlO3 heterostructures using PLD. When the growth rates were sufficiently low, anatase TiO2, which has been reported to induce superconductivity in…

Superconductivity · Physics 2025-09-30 Tomoki Kobayashi , Hiroki Nakagawa , Ryo Ogawa , Atsutaka Maeda

We report on structural, magnetic and electronic properties of Co-implanted TiO2 rutile single crystals for different implantation doses. Strong ferromagnetism at room temperature and above is observed in TiO2 rutile plates after cobalt ion…

The effects of Fe-ion irradiation on the crystal structure and superconducting properties of MgB$_2$ thin films were investigated. Pristine samples were prepared using hybrid physical-chemical vapor deposition (HPCVD), and ion irradiation…

We investigated the electronic and magnetic properties of fully oxidized BaFeO3 thin films, which show ferromagnetic-insulating properties with cubic crystal structure, by hard x-ray photoemission spectroscopy (HAXPES), x-ray absorption…

Strongly Correlated Electrons · Physics 2015-03-03 T. Tsuyama , T. Matsuda , S. Chakraverty , J. Okamoto , E. Ikenaga , A. Tanaka , T. Mizokawa , H. Y. Hwang , Y. Tokura , H. Wadati

By means of photoemission and x-ray absorption spectroscopy, we have studied the electronic structure of (Ni,Zn,Fe,Ti)$_{3}$O$_{4}$ thin films, which exhibits a cluster glass behavior with a spin-freezing temperature $T_f$ of $\sim 230$ K…

Thin films of Topological insulators (TIs) coupled with ferromagnets (FMs) are excellent candidates for energy-efficient spintronics devices. Here, the effect of crystalline structural disorder of TI on interfacial and magnetic properties…

Ion-implantation is a useful technique to study irradiation damage in nuclear materials. To study He effects in nuclear fusion conditions, He is co-implanted with damage ions to reproduce the correct He/dpa ratios in the desired or…

Materials Science · Physics 2012-01-20 Paul Erhart , Jaime Marian

Transparent pure and Cu-doped (2.5, 5 and 10 at. %) anatase TiO2 thin films were grown by pulsed laser deposition technique on LaAlO3 substrates. The samples were structurally characterized by X-ray absorption spectroscopy and X-ray…

Thin films of amorphous (a)-TiO2 are ubiquitous as photocatalysts, protective coatings, photoanodes and in memory application, where they are exposed to excess electrons and holes. We investigate trapping of excess electrons and holes in…

Materials Science · Physics 2020-08-19 David Mora-Fonz , Moloud Kaviani , Alexander L. Shluger