660 research outputs found
Tri-layer superlattices: A route to magnetoelectric multiferroics?
We explore computationally the formation of tri-layer superlattices as an
alternative approach for combining ferroelectricity with magnetism to form
magnetoelectric multiferroics. We find that the contribution to the
superlattice polarization from tri-layering is small compared to typical
polarizations in conventionalferroelectrics, and the switchable ferroelectric
component is negligible. In contrast, we show that epitaxial strain and
``negative pressure'' can yield large, switchable polarizations that are
compatible with the coexistence of magnetism, even in materials with no active
ferroelectric ions.Comment: 10 pages, 3 figures; references added, and minor editorial changes
mad
Magnetic and electric phase control in epitaxial EuTiO from first principles
We propose a design strategy - based on the coupling of spins, optical
phonons, and strain - for systems in which magnetic (electric) phase control
can be achieved by an applied electric (magnetic) field. Using first-principles
density-functional theory calculations, we present a realization of this
strategy for the magnetic perovskite EuTiO.Comment: Significantly revised for clarit
Calculation of model Hamiltonian parameters for LaMnO_3 using maximally localized Wannier functions
Maximally localized Wannier functions (MLWFs) based on Kohn-Sham
band-structures provide a systematic way to construct realistic, materials
specific tight-binding models for further theoretical analysis. Here, we
construct MLWFs for the Mn e_g bands in LaMnO_3, and we monitor changes in the
MLWF matrix elements induced by different magnetic configurations and
structural distortions. From this we obtain values for the local Jahn-Teller
and Hund's rule coupling strength, the hopping amplitudes between all nearest
and further neighbors, and the corresponding reduction due to the GdFeO_3-type
distortion. By comparing our results with commonly used model Hamiltonians for
manganites, where electrons can hop between two "e_g-like" orbitals located on
each Mn site, we find that the most crucial limitation of such models stems
from neglecting changes in the underlying Mn(d)-O(p) hybridization.Comment: 15 pages, 11 figures, 3 table
Magnetism in systems with various dimensionality: A comparison between Fe and Co
A systematic ab initio study is performed for the spin and orbital moments
and for the validity of the sum rules for x-ray magnetic circular dichroism for
Fe systems with various dimensionality (bulk, Pt-supported monolayers and
monatomic wires, free-standing monolayers and monatomic wires). Qualitatively,
the results are similar to those for the respective Co systems, with the main
difference that for the monatomic Fe wires the term in the spin sum rule
is much larger than for the Co wires. The spin and orbital moments induced in
the Pt substrate are also discussed.Comment: 4 page
First principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO
We use first principles density functional theory to investigate the
softening of polar phonon modes in rutile TiO under tensile (110)-oriented
strain. We show that the system becomes unstable against a ferroelectric
distortion with polarization along (110) for experimentally accessible strain
values. The resulting polarization, estimated from the Born effective charges,
even exceeds the bulk polarization of BaTiO. Our calculations demonstrate
the different strain dependence of polar modes polarized along (110) and (001)
directions, and we discuss the possibility of strain engineering the
polarization direction, and the resulting dielectric and piezoelectric
response, in thin films of TiO grown on suitable substrates.Comment: 5 pages, 3 figures, 1 tabl
Dielectric anomalies and spiral magnetic order in CoCr2O4
We have investigated the structural, magnetic, thermodynamic, and dielectric
properties of polycrystalline CoCrO, an insulating spinel exhibiting
both ferrimagnetic and spiral magnetic structures. Below = 94 K the
sample develops long-range ferrimagnetic order, and we attribute a sharp phase
transition at 25 K with the onset of long-range spiral magnetic
order. Neutron measurements confirm that while the structure remains cubic at
80 K and at 11 K; there is complex magnetic ordering by 11 K. Density
functional theory supports the view of a ferrimagnetic semiconductor with
magnetic interactions consistent with non-collinear ordering. Capacitance
measurements on CoCrO, show a sharp decrease in the dielectric constant
at , but also an anomaly showing thermal hysteresis falling between
approximately = 50 K and = 57 K. We tentatively attribute the
appearance of this higher temperature dielectric anomaly to the development of
\textit{short-range} spiral magnetic order, and discuss these results in the
context of utilizing dielectric spectroscopy to investigate non-collinear
short-range magnetic structures.Comment: & Figure
Structural distortions and model Hamiltonian parameters: from LSDA to a tight-binding description of LaMnO_3
The physics of manganites is often described within an effective two-band
tight-binding (TB) model for the Mn e_g electrons, which apart from the kinetic
energy includes also a local "Hund's rule" coupling to the t_{2g} core spin and
a local coupling to the Jahn-Teller (JT) distortion of the oxygen octahedra. We
test the validity of this model by comparing the energy dispersion calculated
for the TB model with the full Kohn-Sham band-structure calculated within the
local spin-density approximation (LSDA) to density functional theory. We
analyze the effect of magnetic order, JT distortions, and "GdFeO_3-type"
tilt-rotations of the oxygen octahedra. We show that the hopping amplitudes are
independent of magnetic order and JT distortions, and that both effects can be
described with a consistent set of model parameters if hopping between both
nearest and next-nearest neighbors is taken into account. We determine a full
set of model parameters from the density functional theory calculations, and we
show that both JT distortions and Hund's rule coupling are required to obtain
an insulating ground state within LSDA. Furthermore, our calculations show that
the "GdFeO_3-type" rotations of the oxygen octahedra lead to a substantial
reduction of the hopping amplitudes but to no significant deviation from the
simple TB model.Comment: replaced with final (published) version with improved presentatio
Lifestyle Choices That Help Prevent Women from Reincarceration
There is immense research about recidivism rates in different populations such as African Americans, men, and other population groups. During our preliminary research and literature reviews, we saw a need for more research about recidivism rates in women. This research proposal hopes to examine the different lifestyle choices that would be most conducive to helping women stay out of prison after being released. Fifty women will undergo individual, in-depth interviews through a fixed purposive sample panel that will be confidential and anonymous. These fifty women will be found by posting flyers at social service agencies, prisons, AA meetings, NA meetings, and other places deemed appropriate in the state of Ohio. Interviews will include questions concerning lifestyle factors from their past, present, and future. The semi-structured interviews will provide a more in-depth look into personal stories. Overall, this research proposal hopes to find the different factors that participants might have in common that can help researchers better understand how past, present, and future life circumstances impact recidivism rates. We expect to find that healthier lifestyle choices will decrease recidivism rates for women. This research proposal is an exploratory study and calls for more research and data from other researchers
- …