517 research outputs found
Spin-dependent resonant tunneling through quantum-well states in magnetic metallic thin films
Quantum-well (QW) states in {\it nonmagnetic} metal layers contained in
magnetic multilayers are known to be important in spin-dependent transport, but
the role of QW states in {\it magnetic} layers remains elusive. Here we
identify the conditions and mechanisms for resonant tunneling through QW states
in magnetic layers and determine candidate structures. We report
first-principles calculations of spin-dependent transport in epitaxial
Fe/MgO/FeO/Fe/Cr and Co/MgO/Fe/Cr tunnel junctions. We demonstrate the
formation of sharp QW states in the Fe layer and show discrete conductance
jumps as the QW states enter the transport window with increasing bias. At
resonance, the current increases by one to two orders of magnitude. The
tunneling magnetoresistance ratio is several times larger than in simple spin
tunnel junctions and is positive (negative) for majority- (minority-) spin
resonances, with a large asymmetry between positive and negative biases. The
results can serve as the basis for novel spintronic devices.Comment: 4 figures in 5 eps file
Ensemble v-representable ab-initio density functional calculation of energy and spin in atoms: atest of exchange-correlation approximations
The total energies and the spin states for atoms and their first ions with Z
= 1-86 are calculated within the the local spin-density approximation (LSDA)
and the generalized-gradient approximation (GGA) to the exchange-correlation
(xc) energy in density-functional theory. Atoms and ions for which the
ground-state density is not pure-state v-representable, are treated as ensemble
v- representable with fractional occupations of the Kohn-Sham system. A newly
developed algorithm which searches over ensemble v-representable densities [E.
Kraisler et al., Phys. Rev. A 80, 032115 (2009)] is employed in calculations.
It is found that for many atoms the ionization energies obtained with the GGA
are only modestly improved with respect to experimental data, as compared to
the LSDA. However, even in those groups of atoms where the improvement is
systematic, there remains a non-negligible difference with respect to the
experiment. The ab-initio electronic configuration in the Kohn-Sham reference
system does not always equal the configuration obtained from the spectroscopic
term within the independent-electron approximation. It was shown that use of
the latter configuration can prevent the energy-minimization process from
converging to the global minimum, e.g. in lanthanides. The spin values
calculated ab-initio fit the experiment for most atoms and are almost
unaffected by the choice of the xc-functional. Among the systems with
incorrectly obtained spin there exist some cases (e.g. V, Pt) for which the
result is found to be stable with respect to small variations in the
xc-approximation. These findings suggest a necessity for a significant
modification of the exchange-correlation functional, probably of a non-local
nature, to accurately describe such systems. PACS numbers: 31.15.
Current-induced magnetization dynamics in disordered itinerant ferromagnets
Current-driven magnetization dynamics in ferromagnetic metals are studied in
a self-consistent adiabatic local-density approximation in the presence of
spin-conserving and spin-dephasing impurity scattering. Based on a quantum
kinetic equation, we derive Gilbert damping and spin-transfer torques entering
the Landau-Lifshitz equation to linear order in frequency and wave vector.
Gilbert damping and a current-driven dissipative torque scale identically and
compete, with the result that a steady current-driven domain-wall motion is
insensitive to spin dephasing in the limit of weak ferromagnetism. A uniform
magnetization is found to be much more stable against spin torques in the
itinerant than in the \textit{s}-\textit{d} model for ferromagnetism. A dynamic
spin-transfer torque reminiscent of the spin pumping in multilayers is
identified and shown to govern the current-induced domain-wall distortion
Optical properties and electronic structure of β′−NiAl
The optical constants and their temperature derivatives have been determined for β′−NiAl from absorption and thermoreflectance measurements in the energy range of 0.2-4.4 eV. The results are interpreted using the self-consistent energy bands of Moruzzi, Williams, and Gelatt. By comparing a calculated joint density of states with ε2, the imaginary part of the dielectric function, good overall agreement is found between theory and experiment. In contrast to earlier analyses, it is found that the 2.5-eV peak in ε2 is primarily due to direct interband transitions terminating near the Fermi surface. This new interpretation of the 2.5-eV feature is discussed in relation to previously reported concentration effects and the rigid-band model
Structural Properties and Relative Stability of (Meta)Stable Ordered, Partially-ordered and Disordered Al-Li Alloy Phases
We resolve issues that have plagued reliable prediction of relative phase
stability for solid-solutions and compounds. Due to its commercially important
phase diagram, we showcase Al-Li system because historically density-functional
theory (DFT) results show large scatter and limited success in predicting the
structural properties and stability of solid-solutions relative to ordered
compounds. Using recent advances in an optimal basis-set representation of the
topology of electronic charge density (and, hence, atomic size), we present DFT
results that agree reasonably well with all known experimental data for the
structural properties and formation energies of ordered, off-stoichiometric
partially-ordered and disordered alloys, opening the way for reliable study in
complex alloys.Comment: 7 pages, 2 figures, 2 Table
Efficient nonlinear room-temperature spin injection from ferromagnets into semiconductors through a modified Schottky barrier
We suggest a consistent microscopic theory of spin injection from a
ferromagnet (FM) into a semiconductor (S). It describes tunneling and emission
of electrons through modified FM-S Schottky barrier with an ultrathin heavily
doped interfacial S layer . We calculate nonlinear spin-selective properties of
such a reverse-biased FM-S junction, its nonlinear I-V characteristic, current
saturation, and spin accumulation in S. We show that the spin polarization of
current, spin density, and penetration length increase with the total current
until saturation. We find conditions for most efficient spin injection, which
are opposite to the results of previous works, since the present theory
suggests using a lightly doped resistive semiconductor. It is shown that the
maximal spin polarizations of current and electrons (spin accumulation) can
approach 100% at room temperatures and low current density in a nondegenerate
high-resistance semiconductor.Comment: 7 pages, 2 figures; provides detailed comparison with earlier works
on spin injectio
Spin Screening and Antiscreening in a Ferromagnet/Superconductor Heterojunction
We present a theoretical study of spin screening effects in a
ferromagnet/superconductor (F/S) heterojunction. It is shown that the magnetic
moment of the ferromagnet is screened or antiscreened, depending on the
polarization of the electrons at the Fermi level. If the polarization is
determined by the electrons of the majority (minority) spin band then the
magnetic moment of the ferromagnet is screened (antiscreened) by the electrons
in the superconductor. We propose experiments that may confirm our theory: for
ferromagnetic alloys with certain concentration of Fe or Ni ions there will be
screening or antiscreening respectively. Different configurations for the
density of states are also discussed.Comment: 5 pages; 4 figures. to be published in Phys. Rev,
Atomic correlations in itinerant ferromagnets: quasi-particle bands of nickel
We measure the band structure of nickel along various high-symmetry lines of
the bulk Brillouin zone with angle-resolved photoelectron spectroscopy. The
Gutzwiller theory for a nine-band Hubbard model whose tight-binding parameters
are obtained from non-magnetic density-functional theory resolves most of the
long-standing discrepancies between experiment and theory on nickel. Thereby we
support the view of itinerant ferromagnetism as induced by atomic correlations.Comment: 4 page REVTeX 4.0, one figure, one tabl
Sediment contamination by heavy metals and PAH in the Piombino Channel (Tyrrhenian Sea).
Sediment contamination is of major concern in areas affected by heavy maritime traffic. The spatial variation and contamination of 11 trace elements and 17 PAHs in surface sediments were studied along a 31 km transect along the seaway from the port of Piombino (Tuscany) to the port of Portoferraio (Elba Island) in the Northern Tyrrhenian Sea. Heavy metal contamination was detected at sites near Piombino (Ni, Pb, Hg, Cu and Zn) and at sites near Portoferraio (Pb, Zn, Hg, Cr and Cd). Each of the 35 sampled sites showed PAH contamination, with the highest concentrations at sites near Portoferraio. The most abundant isomers detected were 2- and 4-ring PAHs. PAH ratio analysis showed a prevalence of PAHs of pyrolytic origin. High values of PAHs and heavy metals were related to high sediment water content, TOC, silt, and clay content. Arsenic increased with increasing depth. The correlation between concentrations of metals and PAHs suggests common anthropogenic sources and is of concern for possible synergistic adverse effects on the biota
About the strength of correlation effects in the electronic structure of iron
The strength of electronic correlation effects in the spin-dependent
electronic structure of ferromagnetic bcc Fe(110) has been investigated by
means of spin and angle-resolved photoemission spectroscopy. The experimental
results are compared to theoretical calculations within the three-body
scattering approximation and within the dynamical mean-field theory, together
with one-step model calculations of the photoemission process. This comparison
indicates that the present state of the art many-body calculations, although
improving the description of correlation effects in Fe, give too small mass
renormalizations and scattering rates thus demanding more refined many-body
theories including non-local fluctuations.Comment: 4 pages, 4 figure
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