272 research outputs found
Unscreened Hartree-Fock calculations for metallic Fe, Co, Ni, and Cu from ab-initio Hamiltonians
Unscreened Hartree-Fock approximation (HFA) calculations for metallic Fe, Co,
Ni, and Cu are presented, by using a quantum-chemical approach. We believe that
these are the first HFA results to have been done for crystalline 3d transition
metals. Our approach uses a linearized muffin-tin orbital calculation to
determine Bloch functions for the Hartree one-particle Hamiltonian, and from
these obtains maximally localized Wannier functions, using a method proposed by
Marzari and Vanderbilt. Within this Wannier basis all relevant one-particle and
two-particle Coulomb matrix elements are calculated. The resulting
second-quantized multi-band Hamiltonian with ab-initio parameters is studied
within the simplest many-body approximation, namely the unscreened,
self-consistent HFA, which takes into account exact exchange and is free of
self-interactions. Although the d-bands sit considerably lower within HFA than
within the local (spin) density approximation L(S)DA, the exchange splitting
and magnetic moments for ferromagnetic Fe, Co, and Ni are only slightly larger
in HFA than what is obtained either experimentally or within LSDA. The HFA
total energies are lower than the corresponding LSDA calculations. We believe
that this same approach can be easily extended to include more sophisticated
ab-initio many-body treatments of the electronic structure of solids.Comment: 11 papes, 7 figures, 5 table
Nonlinear excitations in CsNiF3 in magnetic fields perpendicular to the easy plane
Experimental and numerical studies of the magnetic field dependence of the
specific heat and magnetization of single crystals of CsNiF3 have been
performed at 2.4 K, 2.9 K, and 4.2 K in magnetic fields up to 9 T oriented
perpendicular to the easy plane. The experimental results confirm the presence
of the theoretically predicted double peak structure in the specific heat
arising from the formation of nonlinear spin modes. The demagnetizing effects
are found to be negligible, and the overall agreement between the data and
numerical predictions is better than reported for the case when the magnetic
field was oriented in the easy plane. Demagnetizing effects might play a role
in generating the difference observed between theory and experiment in previous
work analyzing the excess specific heat using the sine-Gordon model.Comment: 6 pages, 5 figures, submitted to Phys. Rev.
Haldane-Gapped Spin Chains as Luttinger Liquids: Correlation Functions at Finite Field
We study the behavior of Heisenberg, antiferromagnetic, integer-spin chains
in the presence of a magnetic field exceeding the attendant spin gap. For
temperatures much smaller than the gap, the spin chains exhibit Luttinger
liquid behavior. We compute exactly both the corresponding Luttinger parameter
and the Fermi velocity as a function of magnetic field. This enables the
computation of a number of correlators from which we derive the spin
conductance, the expected form of the dynamic structure factor relevant to
inelastic neutron scattering experiments, and NMR relaxation rates. We also
comment upon the robustness of the magnetically induced gapless phase both to
finite temperature and finite couplings between neighbouring chains.Comment: 32 pages, 8 figures; published version includes additions discussing
the robustness of the magnetically induced gapless phase to ordering between
chains as well as the relationship between the spin-1 chains and spin-1/2
ladders in the presence of a magnetic fiel
Absence of lattice strain anomalies at the electronic topological transition in zinc at high pressure
High pressure structural distortions of the hexagonal close packed (hcp)
element zinc have been a subject of controversy. Earlier experimental results
and theory showed a large anomaly in lattice strain with compression in zinc at
about 10 GPa which was explained theoretically by a change in Fermi surface
topology. Later hydrostatic experiments showed no such anomaly, resulting in a
discrepancy between theory and experiment. We have computed the compression and
lattice strain of hcp zinc over a wide range of compressions using the
linearized augmented plane wave (LAPW) method paying special attention to
k-point convergence. We find that the behavior of the lattice strain is
strongly dependent on k-point sampling, and with large k-point sets the
previously computed anomaly in lattice parameters under compression disappears,
in agreement with recent experiments.Comment: 9 pages, 6 figures, Phys. Rev. B (in press
Magnetization process for a quasi-one-dimensional S=1 antiferromagnet
We investigate the magnetization process for a quasi-one-dimensional S=1
antiferromagnet with bond alternation. By combining the density matrix
renormalization group method with the interchain mean-field theory, we discuss
how the interchain coupling affects the magnetization curve. It is found that
the width of the magnetization plateau is considerably reduced upon introducing
the interchain coupling. We obtain the phase diagram in a magnetic field. The
effect of single-ion anisotropy is also addressed.Comment: 6 pages, 7 eps figure
Finite Temperature Properties of Quantum Antiferromagnets in a Uniform Magnetic Field in One and Two Dimensions
Consider a -dimensional antiferromagnet with a quantum disordered ground
state and a gap to bosonic excitations with non-zero spin. In a finite external
magnetic field, this antiferromagnet will undergo a phase transition to a
ground state with non-zero magnetization, describable as the condensation of a
dilute gas of bosons. The finite temperature properties of the Bose gas in the
vicinity of this transition are argued to obey a hypothesis of ZERO
SCALE-FACTOR UNIVERSALITY for , with logarithmic violations in .
Scaling properties of various experimental observables are computed in an
expansion in , and exactly in .Comment: 27 pages, REVTEX 3.0, 8 Postscript figures appended, YCTP-xyz
Apolipoprotein E–low density lipoprotein receptor interaction affects spatial memory retention and brain ApoE levels in an isoform-dependent manner
Human apolipoprotein E (apoE) exists in three isoforms: apoE2, apoE3 and apoE4. APOE ε4 (E4) is a major genetic risk factor for cardiovascular disease (CVD) and Alzheimer's disease (AD). ApoE mediates cholesterol metabolism by binding various receptors. The low-density lipoprotein receptor (LDLR) has a high affinity for apoE, and is the only member of its receptor family to demonstrate an apoE isoform specific binding affinity (E4>E3>>E2). Evidence suggests that a functional interaction between apoE and LDLR influences the risk of CVD and AD. We hypothesize that the differential cognitive effects of the apoE isoforms are a direct result of their varying interactions with LDLR. To test this hypothesis, we have employed transgenic mice that express human apoE2, apoE3, or apoE4, and either human LDLR (hLDLR) or no LDLR (LDLR−/−). Our results show that plasma and brain apoE levels, cortical cholesterol, and spatial memory are all regulated by isoform-dependent interactions between apoE and LDLR. Conversely, both anxiety-like behavior and cued associative memory are strongly influenced by APOE genotype, but these processes appear to occur via an LDLR-independent mechanism. Both the lack of LDLR and the interaction between E4 and the LDLR were associated with significant impairments in the retention of long term spatial memory. Finally, levels of hippocampal apoE correlate with long term spatial memory retention in mice with human LDLR. In summary, we demonstrate that the apoE-LDLR interaction affects regional brain apoE levels, brain cholesterol, and cognitive function in an apoE isoform-dependent manner
Small-scale solar magnetic fields
As we resolve ever smaller structures in the solar atmosphere, it has become
clear that magnetism is an important component of those small structures.
Small-scale magnetism holds the key to many poorly understood facets of solar
magnetism on all scales, such as the existence of a local dynamo, chromospheric
heating, and flux emergence, to name a few. Here, we review our knowledge of
small-scale photospheric fields, with particular emphasis on quiet-sun field,
and discuss the implications of several results obtained recently using new
instruments, as well as future prospects in this field of research.Comment: 43 pages, 18 figure
Measurement of the Charged Multiplicities in b, c and Light Quark Events from Z0 Decays
Average charged multiplicities have been measured separately in , and
light quark () events from decays measured in the SLD experiment.
Impact parameters of charged tracks were used to select enriched samples of
and light quark events, and reconstructed charmed mesons were used to select
quark events. We measured the charged multiplicities:
,
, from
which we derived the differences between the total average charged
multiplicities of or quark events and light quark events: and . We compared
these measurements with those at lower center-of-mass energies and with
perturbative QCD predictions. These combined results are in agreement with the
QCD expectations and disfavor the hypothesis of flavor-independent
fragmentation.Comment: 19 pages LaTex, 4 EPS figures, to appear in Physics Letters
Neurodevelopmental outcome at 5.5 years in Dutch preterm infants born at 24-26 weeks' gestational age: the EPI-DAF study
Objective After lowering the Dutch threshold for active treatment from 25 to 24 completed weeks' gestation, survival to discharge increased by 10% in extremely preterm live born infants. Now that this guideline has been implemented, an accurate description of neurodevelopmental outcome at school age is needed.Design Population-based cohort study.Setting All neonatal intensive care units in the Netherlands.Patients All infants born between 24(0/7) and 26(6/7 )weeks' gestation who were 5.5 years' corrected age (CA) in 2018-2020 were included.Main outcome measures Main outcome measure was neurodevelopmental outcome at 5.5 years. Neurodevelopmental outcome was a composite outcome defined as none, mild or moderate-to-severe impairment (further defined as neurodevelopmental impairment (NDI)), using corrected cognitive score (Wechsler Preschool and Primary Scale of Intelligence Scale-III-NL), neurological examination and neurosensory function. Additionally, motor score (Movement Assessment Battery for Children-2-NL) was assessed. All assessments were done as part of the nationwide, standardised follow-up programme.Results In the 3-year period, a total of 632 infants survived to 5.5 years' CA. Data were available for 484 infants (77%). At 5.5 years' CA, most cognitive and motor (sub)scales were significantly lower compared with the normative mean. Overall, 46% had no impairment, 36% had mild impairment and 18% had NDI. NDI-free survival was 30%, 49% and 67% in live born children at 24, 25 and 26 weeks' gestation, respectively (pDevelopmen
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