4,995 research outputs found
Large anisotropy in the optical conductivity of YNi2B2C
The optical properties of YNiBC are studied by using the
first-principles full-potential linearized augmented plane wave (FLAPW) method
within the local density approximation. Anisotropic behavior is obtained in the
optical conductivity, even though the electronic structure shows 3D character.
A large peak in is obtained at 2.4 eV. The anisotropic optical
properties are analyzed in terms of interband transitions between energy levels
and found that the Ni site plays an important role. The electronic energy loss
spectroscopy (EELS) spectra are also calculated to help elucidate the
anisotropic properties in this system.Comment: revtex4, 4 pages, 5 figures, to appear in PR
Orbital magnetism in the half-metallic Heusler alloys
Using the fully-relativistic screened Korringa-Kohn-Rostoker method I study
the orbital magnetism in the half-metallic Heusler alloys. Orbital moments are
almost completely quenched and they are negligible with respect to the spin
moments. The change in the atomic-resolved orbital moments can be easily
explained in terms of the spin-orbit strength and hybridization effects.
Finally I discuss the orbital and spin moments derived from X-ray magnetic
circular dichroism experiments
Interface properties of the NiMnSb/InP and NiMnSb/GaAs contacts
We study the electronic and magnetic properties of the interfaces between the
half-metallic Heusler alloy NiMnSb and the binary semiconductors InP and GaAs
using two different state-of-the-art full-potential \textit{ab-initio}
electronic structure methods. Although in the case of most NiMnSb/InP(001)
contacts the half-metallicity is lost, it is possible to keep a high degree of
spin-polarization when the interface is made up by Ni and P layers. In the case
of the GaAs semiconductor the larger hybridization between the Ni- and
As- orbitals with respect to the hybridization between the Ni- and P-
orbitals destroys this polarization. The (111) interfaces present strong
interface states but also in this case there are few interfaces presenting a
high spin-polarization at the Fermi level which can reach values up to 74%.Comment: 9 pages, 9 figure
Refinement of primary Si in hypereutectic Al-Si alloys by intensive melt shearing
Hypereutectic Al-Si based alloys are gaining popularity for applications where a combination of light weight and high wear resistance is required. The high wear resistance arising from the hard primary Si particles comes at the price of extremely poor machine tool life. To minimize machining problems while exploiting outstanding wear resistance, the primary Si particles must be controlled to a uniform small size and uniform spatial distribution. The current industrial means of refining primary Si chemically by the addition of phosphorous suffers from a number of problems. In the present paper an alternative, physical means of refining primary Si by intensive shearing of the melt prior to casting is investigated. Al-15wt%Si alloy has been solidified under varying casting conditions (cooling rate) and the resulting microstructures have been studied using microscopy and quantitative image analysis. Primary Si particles were finer, more compact in shape and more numerous with increasing cooling rate. Intensive melt shearing led to greater refinement and more enhanced nucleation of primary Si than was achieved by adding phosphorous. The mechanism of enhanced nucleation is discussed.EPSRC (grant EP/H026177/1)
Appearance of Half-Metallicity in the Quaternary Heusler Alloys
I report systematic first-principle calculations of the quaternary Heusler
alloys like Co[CrMn]Al, CoMn[AlSn] and
[FeCo]MnAl. I show that when the two limiting cases (x=0 or 1)
correspond to a half-metallic compound, so do the intermediate cases. Moreover
the total spin moment in scales linearly with the total number of
valence electrons (and thus with the concentration ) following the
relation , independently of the origin of the extra valence
electrons, confirming the Slater-Pauling behavior of the normal Heusler alloys.
Finally I discuss in all cases the trends in the atomic projected DOSs and in
the atomic spin moments.Comment: 4 pages, 3 figures, 2 Table
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