1,036 research outputs found
Geometric approach to Fletcher's ideal penalty function
Original article can be found at: www.springerlink.com Copyright Springer. [Originally produced as UH Technical Report 280, 1993]In this note, we derive a geometric formulation of an ideal penalty function for equality constrained problems. This differentiable penalty function requires no parameter estimation or adjustment, has numerical conditioning similar to that of the target function from which it is constructed, and also has the desirable property that the strict second-order constrained minima of the target function are precisely those strict second-order unconstrained minima of the penalty function which satisfy the constraints. Such a penalty function can be used to establish termination properties for algorithms which avoid ill-conditioned steps. Numerical values for the penalty function and its derivatives can be calculated efficiently using automatic differentiation techniques.Peer reviewe
Doping Dependence of Spin Dynamics in Electron-Doped Ba(Fe1-xCox)2As2
The spin dynamics in single crystal, electron-doped Ba(Fe1-xCox)2As2 has been
investigated by inelastic neutron scattering over the full range from undoped
to the overdoped regime. We observe damped magnetic fluctuations in the normal
state of the optimally doped compound (x=0.06) that share a remarkable
similarity with those in the paramagnetic state of the parent compound (x=0).
In the overdoped superconducting compound (x=0.14), magnetic excitations show a
gap-like behavior, possibly related to a topological change in the hole Fermi
surface (Lifshitz transition), while the imaginary part of the spin
susceptibility prominently resembles that of the overdoped cuprates. For the
heavily overdoped, non-superconducting compound (x=0.24) the magnetic
scattering disappears, which could be attributed to the absence of a hole
Fermi-surface pocket observed by photoemission.Comment: 6 pages, 5 figures, published versio
Stabilization of Polar Nano Regions in Pb-free ferroelectrics
Formation of polar nano regions through solid-solution additions are known to
enhance significantly the functional properties of ferroelectric materials.
Despite considerable progress in characterizing the microscopic behavior of
polar nano regions, understanding their real-space atomic structure and
dynamics of formation remains a considerable challenge. Here, using the method
of dynamic pair distribution function, we provide direct insights into the role
of solid-solution additions towards the stabilization of polar nano regions in
the Pb-free ferroelectric of Ba(Zr,Ti)O3. It is shown that for an optimum level
of substitution of Ti by larger Zr ions, the dynamics of atomic displacements
for ferroelectric polarization are slowed sufficiently, which leads to
increased local correlation among dipoles below THz frequencies. The dynamic
pair distribution function technique demonstrates unique capability to obtain
insights into locally correlated atomic dynamics in disordered materials,
including new Pb-free ferroelectrics, which is necessary to understand and
control their functional properties
Unusual giant magnetostriction in the ferrimagnet GdCaMnO
We report an unusual giant linear magnetostrictive effect in the ferrimagnet
GdCaMnO (80 K). Remarkably, the
magnetostriction, negative at high temperature (), becomes
positive below 15 K when the magnetization of the Gd sublattice overcomes the
magnetization of the Mn sublattice. A rather simple model where the magnetic
energy competes against the elastic energy gives a good account of the observed
results and confirms that Gd plays a crucial role in this unusual observation.
Unlike previous works in manganites where only striction associated with 3
Mn orbitals is considered, our results show that the lanthanide 4 orbitals
related striction can be very important too and it cannot be disregarded.Comment: 6 pages, 3 figure
Charge order, dynamics, and magneto-structural transition in multiferroic LuFeO
We investigated the series of temperature and field-driven transitions in
LuFeO by optical and M\"{o}ssbauer spectroscopies, magnetization, and
x-ray scattering in order to understand the interplay between charge,
structure, and magnetism in this multiferroic material. We demonstrate that
charge fluctuation has an onset well below the charge ordering transition,
supporting the "order by fluctuation" mechanism for the development of charge
order superstructure. Bragg splitting and large magneto optical contrast
suggest a low temperature monoclinic distortion that can be driven by both
temperature and magnetic field.Comment: 4 pages, 3 figures, PRL in prin
Antiferromagnetic Order in MnO Spherical Nanoparticles
We have performed unpolarized and polarized neutron diffraction experiments
on monodisperse 8 nm and 13 nm antiferromagnetic MnO nanoparticles. For the 8
nm sample, the antiferromagnetic transition temperature (114 K) is
suppressed compared to the bulk material (119 K) while for the 13 nm sample
(120 K) is comparable to the bulk. The neutron diffraction data of the
nanoparticles is well described using the bulk MnO magnetic structure but with
a substantially reduced average magnetic moment of 4.20.3 /Mn for
the 8 nm sample and 3.90.2 /Mn for the 13 nm sample. An analysis of
the polarized neutron data on both samples shows that in an individual MnO
nanoparticle about 80 of Mn ions order. These results can be explained by a
structure in which the monodisperse nanoparticles studied here have a core that
behaves similar to the bulk with a surface layer which does not contribute
significantly to the magnetic order.Comment: 7 pages, 5 figure
Magnetic-Field-Induced Antiferromagnetism in Two-Dimensional Hubbard Model: Analysis of CeRhIn
We propose the mechanism for the magnetic-field-induced antiferromagnetic
(AFM) state in a two-dimensional Hubbard model in the vicinity of the AFM
quantum critical point (QCP), using the fluctuation-exchange (FLEX)
approximation by taking the Zeeman energy due to the magnetic field into
account. In the vicinity of the QCP, we find that the AFM correlation
perpendicular to is enhanced, whereas that parallel to is reduced. This
fact means that the finite magnetic field increases , with the AFM order
perpendicular to . The increment in can be understood in terms of the
reduction of both quantum and thermal fluctuations due to the magnetic field,
which is caused by the self-energy effect within the FLEX approximation. The
present study naturally explains the increment in in CeRhIn_5 under the
magnetic field found recently.Comment: 5 page
Magnetic properties of the S=1/2 quasi square lattice antiferromagnet CuF2(H2O)2(pyz) (pyz=pyrazine) investigated by neutron scattering
We have performed elastic and inelastic neutron experiments on single crystal
samples of the coordination polymer compound CuF2(H2O)2(pyz) (pyz=pyrazine) to
study the magnetic structure and excitations. The elastic neutron diffraction
measurements indicate a collinear antiferromagnetic structure with moments
oriented along the [0.7 0 1] real-space direction and an ordered moment of 0.60
+/- 0.03 muB/Cu. This value is significantly smaller than the single ion
magnetic moment, reflecting the presence of strong quantum fluctuations. The
spin wave dispersion from magnetic zone center to the zone boundary points (0.5
1.5 0) and (0.5 0 1.5) can be described by a two dimensional Heisenberg model
with a nearest neighbor magnetic exchange constant J2d = 0.934 +/-0.0025 meV.
The inter-layer interaction Jperp in this compound is less than 1.5% of J2d.
The spin excitation energy at the (0.5 0.5 0.5) zone boundary point is reduced
when compared to the (0.5 1 0.5) zone boundary point by ~10.3 +/- 1.4 %. This
zone boundary dispersion is consistent with quantum Monte Carlo and series
expansion calculations which include corrections for quantum fluctuations to
linear spin wave theory.Comment: 7 pages, 6 figure
Crystalline Electric Field Excitations in the Heavy Fermion Superconductor CeCoIn_5
The crystalline electric field (CEF) energy level scheme of the heavy fermion
superconductor CeCoIn_5 has been determined by means of inelastic neutron
scattering (INS). Peaks observed in the INS spectra at 8 meV and 27 meV with
incident neutron energies between E_i=30-60 meV and at a temperature T = 10 K
correspond to transitions from the ground state to the two excited states,
respectively. The wavevector and temperature dependence of these peaks are
consistent with CEF excitations. Fits of the data to a CEF model yield the CEF
parameters B^0_2=-0.80 meV, B^0_4=0.059 meV, and |B^4_4|= 0.137 meV
corresponding to an energy level scheme: Gamma_7^(1) (0)[=0.487|+/-5/2> -
0.873|-/+3/2>], Gamma_7^(2) (8.6 meV, 100 K), and Gamma_6 (24.4 meV, 283 K).Comment: uses latex packages revtex4,amsmath,graphicx,natbib, 9th Annual
MMM-Intermag Conference, (Accepted for publication in J. Appl. Phys.) 7
pages, 2 figure
Field-induced structural evolution in the spin-Peierls compound CuGeO: high-field ESR study
The dimerized-incommensurate phase transition in the spin-Peierls compound
CuGeO is probed using multifrequency high-resolution electron spin
resonance (ESR) technique, in magnetic fields up to 17 T. A field-induced
development of the soliton-like incommensurate superstructure is clearly
indicated as a pronounced increase of the ESR linewidth (magnon
excitations), with a at 13.8 T. The anomaly is
explained in terms of the magnon-soliton scattering, and suggests that the
soliton-like phase exists close to the boundary of the dimerized-incommensurate
phase transition. In addition, magnetic excitation spectra in 0.8% Si-doped
CuGeO are studied. Suppression of the anomaly observed in the
doped samples suggests a collapse of the long-range-ordered soliton states upon
doping, that is consistent with high-field neutron scattering experiments.Comment: Accepted to Phys. Rev.
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