2,034 research outputs found
Ab-initio Prediction of Conduction Band Spin Splitting in Zincblende Semiconductors
We use a recently developed self-consistent approximation to present
systematic \emph{ab initio} calculations of the conduction band spin splitting
in III-V and II-V zincblende semiconductors. The spin orbit interaction is
taken into account as a perturbation to the scalar relativistic hamiltonian.
These are the first calculations of conduction band spin splittings based on a
quasiparticle approach; and because the self-consistent scheme accurately
reproduces the relevant band parameters, it is expected to be a reliable
predictor of spin splittings. The results are compared to the few available
experimental data and a previous calculation based on a model one-particle
potential. We also briefly address the widely used {\bf k}{\bf p}
parameterization in the context of these results.Comment: 9 pages, 1 figur
GW method applied to localized 4f electron systems
We apply a recently developed quasiparticle self-consistent method
(QSGW) to Gd, Er, EuN, GdN, ErAs, YbN and GdAs. We show that QSGW combines
advantages separately found in conventional and LDA+ theory, in a
simple and fully \emph{ab initio} way. \qsgw reproduces the experimental
occupied levels well, though unoccupied levels are systematically
overestimated. Properties of the Fermi surface responsible for electronic
properties are in good agreement with available experimental data. GdN is
predicted to be very near a critical point of a first-order metal-insulator
transition.Comment: 5 pages,3 figures, 2 table
Evaluation of automated cell disruptor methods for oomycetous and ascomycetous model organisms
Two automated cell disruptor-based methods for RNA extraction, disruption of thawed cells submerged in TRIzol Reagent (method QP), and direct disruption of frozen cells on dry ice (method CP), were optimized for a model oomycete, Phytophthora capsici, and a model filamentous ascomycete, Neurospora crassa. The results were compared with more conventional methods of manual grinding in a mortar and pestle under liquid nitrogen (method M&P) and those using lyophilized samples. A chip-based electrophoresis system showed that methods CP and M&P yielded high integrity RNA from both P. capsici and N. crassa. In contrast, method QP and lyophilized sample-based methods resulted in inconsistent RNA integrity between the two organisms, indicating they are not safe alternatives for method M&P. Microarray mRNA profiling for P. capsici revealed alterations in global mRNA profiles in those samples that the chip-based electrophoresis detected slight decreases in RNA integrity. Despite this, RNA integrity of these samples could still be high enough to pass conventional stringent quality control measures. This demonstrated the necessity of global mRNA profiling for the evaluation of RNA extraction protocols
Many-body Electronic Structure of Metallic alpha-Uranium
We present results for the electronic structure of alpha uranium using a
recently developed quasiparticle self-consistent GW method (QSGW). This is the
first time that the f-orbital electron-electron interactions in an actinide has
been treated by a first-principles method beyond the level of the generalized
gradient approximation (GGA) to the local density approximation (LDA). We show
that the QSGW approximation predicts an f-level shift upwards of about 0.5 eV
with respect to the other metallic s-d states and that there is a significant
f-band narrowing when compared to LDA band-structure results. Nonetheless,
because of the overall low f-electron occupation number in uranium,
ground-state properties and the occupied band structure around the Fermi energy
is not significantly affected. The correlations predominate in the unoccupied
part of the f states. This provides the first formal justification for the
success of LDA and GGA calculations in describing the ground-state properties
of this material.Comment: 4 pages, 3 fihgure
Alternative formalism to the slave particle mean field theory of the t-J model without deconfinement
An alternative formalism that does not require the assumption of the
deconfinement phase of a U(1) gauge field is proposed for the slave particle
mean field theory. Starting form the spin-fermion model, a spinon field, which
is either fermion or boson, is introduced to represent the localized spin
moment. We find a d-wave superconductive state in the mean field theory in the
case of the fermion representation of the localized spin moment that
corresponds to the slave boson mean field theory of the t-J model, whereas the
d-wave superconductive state is absent in case of the Schwinger boson
representation of the localized spin moments.Comment: 8 page
Strain-Induced Conduction Band Spin Splitting in GaAs from First Principles Calculations
We use a recently developed self-consistent GW approximation to present first
principles calculations of the conduction band spin splitting in GaAs under
[110] strain. The spin orbit interaction is taken into account as a
perturbation to the scalar relativistic hamiltonian. These are the first
calculations of conduction band spin splitting under deformation based on a
quasiparticle approach; and because the self-consistent GW scheme accurately
reproduces the relevant band parameters, it is expected to be a reliable
predictor of spin splittings. We also discuss the spin relaxation time under
[110] strain and show that it exhibits an in-plane anisotropy, which can be
exploited to obtain the magnitude and sign of the conduction band spin
splitting experimentally.Comment: 8 pages, 4 figures, 1 tabl
A dilution effect without dilution : when missing evidence, not non-diagnostic evidence, is judged inaccurately
Spin wave dispersion based on the quasiparticle self-consistent method: NiO, MnO and -MnAs
We present spin wave dispersions in MnO, NiO, and -MnAs based on the
quasiparticle self-consistent method (\qsgw), which determines an optimum
quasiparticle picture. For MnO and NiO, \qsgw results are in rather good
agreement with experiments, in contrast to the LDA and LDA+U description. For
-MnAs, we find a collinear ferromagnetic ground state in \qsgw, while
this phase is unstable in the LDA.Comment: V2: add another figure for SW life time. Formalism is detaile
NMR studies of the incommensurate helical antiferromagnet EuCo2P2 : determination of the antiferromagnetic propagation vector
Recently Ding et al. [Phys. Rev. B 95, 184404 (2017)] reported that their
nuclear magnetic resonance (NMR) study on EuCoAs successfully
characterized the antiferromagnetic (AFM) propagation vector of the
incommensurate helix AFM state, showing that NMR is a unique tool for
determination of the spin structures in incommensurate helical AFMs. Motivated
by this work, we have carried out Eu, P and Co NMR
measurements on the helical antiferromagnet EuCoP with an AFM ordering
temperature = 66.5 K. An incommensurate helical AFM structure was
clearly confirmed by Eu and P NMR spectra on single crystalline
EuCoP in zero magnetic field at 1.6 K and its external magnetic field
dependence. Furthermore, based on Co NMR data in both the paramagnetic
and the incommensurate AFM states, we have determined the model-independent
value of the AFM propagation vector k = (0, 0, 0.73 0.09)2/ where
is the -axis lattice parameter. The temperature dependence of k is also
discussed.Comment: 8 pages, 10 figures, accepted for publication in Phys. Rev. B. arXiv
admin note: substantial text overlap with arXiv:1704.0629
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