Related papers: Local structure of Fe impurity atoms in ZnO: bulk …
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…
This work addresses the effect of substituting Mn$^{3+}$ by Fe$^{3+}$ at the octahedral site of TbMnO$_3$ on the magnetic phase sequence, ferroelectric and magnetoelectric properties, keeping the Fe$^{3+}$ concentration below 5%. The…
We study the possibility of d0 ferromagnetism in the compound MgO doped with nitrogen (N). The Haldane-Anderson impurity model is formulated within the tight-binding approximation for determining the host band-structure and the…
In the present paper electronic, magnetic, and structural properties of a novel system FeZnMo$_3$O$_8$ with a polar crystal structure are investigated using GGA+U calculations. It is shown that Fe ions preferably occupy octahedral and Zn…
We have demonstrated that the island nucleation in the initial stage of epitaxial thin film growth can be tuned by substrate surface charge doping. This charge effect was investigated using spin density functional theory calculation in…
Single crystals of electron-doped SrMnO3 with a cubic perovskite structure have been systematically investigated as the most canonical (orbital-degenerate) double-exchange system, whose ground states have been still theoretically…
Magnetic 3d-ions doped into wide-gap oxides show signatures of room temperature ferromagnetism, although their concentration is two orders of magnitude smaller than that in conventional magnets. The prototype of these exceptional materials…
Here we report the structural, electrical and magnetic properties of Fe doped La0.7Ca0.3Mn1-xFexO3 with x = 0.0 to 1.0 prepared by conventional solid state reaction method. Simulated data on XRD shows an increase in volume with an increase…
BiFeO$_3$ (BFO) shows both ferroelectricity and magnetic ordering at room temperature but its ferromagnetic component, which is due to spin canting, is negligible. Substitution of transition-metal atoms such as Co for Fe is known to enhance…
We have systematically studied the substitution of nonmagnetic Zn and magnetic Ni at iron sites in Ce based oxypnictide. The parent compound (CeOFeAs) shows an anomaly in resistivity around 150 K due to structural transition from tetragonal…
We synthesized pure and Co-doped (6.25 12.5 at.) ZrO$_2$ nanopowders in order to study their magnetic properties.We analyzed magnetic behavior as a function of the amount of Co and the oxygenation, which was controlled by low pressure…
We have investigated electron- and hole-doping effects on $A$-site ordered perovskite manganite NdBaMn$_2$O$_6$, which has the $A$-type (layered) antiferromagnetic (AFM) ground state. Electrons (holes) are introduced by partial substitution…
A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce) have been investigated using density functional theory (DFT) based on the full-potential linearized augmented plane wave orbital (FP-LAPW) method, as implemented…
As the dielectric film thickness shrinks to ~10 nm, some traditional wurtzite piezoelectric materials demonstrate ferroelectricity through element doping. Among them, Sc doped AlN and Mg doped ZnO are the most famous examples. While it is…
We study the distribution of electronic spectral weight in a doped antiferromagnet with various types of charge order and compare to angle resolved photoemission experiments on lightly doped La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) and electron doped…
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…
X-ray absorption near-edge and grazing incidence X-ray fluorescence spectroscopy are employed to investigate the electronic structure of ZnFe$_{2}$O$_{4}$ thin films. The spectroscopy techniques are used to determine the non-equilibrium…
Room-temperature ferromagnetism is observed in (110) oriented ZnO films containing 5 at % of Sc, Ti, V, Fe, Co or Ni, but not Cr, Mn or Cu ions. There are large moments, 1.9 and 0.5 muB/atom for Co- and Ti-substituted oxides, respectively.…
Doping MoS$_2$ with Re is known to alter the electronic, structural, and tribological properties. Re-doped MoS$_2$ has been previously mainly studied in monolayer or few-layer form, but can also be relevant for applications in many-layer or…
We explore the interplay between ferroelectricity and metallicity, which are generally considered to be contra-indicated properties, in the prototypical ferroelectric barium titanate, BaTiO$_3$. Using first-principles density functional…