2,403 research outputs found
Electronic Structures of Antiperovskite Superconductor MgCNi and Related Compounds
Electronic structure of a newly discovered antiperovskite superconductor
MgCNi is investigated by using the LMTO band method. The main contribution
to the density of states (DOS) at the Fermi energy comes from Ni
3 states which are hybridized with C 2 states. The DOS at is
varied substantially by the hole or electron doping due to the very high and
narrow DOS peak located just below . We have also explored
electronic structures of C-site and Mg-site doped MgCNi systems, and
described the superconductivity in terms of the conventional phonon mechanism.Comment: 3 pages, presented at ORBITAL2001 September 11-14, 2001 (Sendai,
JAPAN
Electronic structures of antiperovskite superconductors: MgXNi (X=B,C,N)
We have investigated electronic structures of a newly discovered
antiperovskite superconductor MgCNi and related compounds MgBNi and
MgNNi. In MgCNi, a peak of very narrow and high density of states is
located just below , which corresponds to the antibonding
state of Ni-3d and C- but with the predominant Ni-3d character. The
prominent nesting feature is observed in the -centered electron Fermi
surface of an octahedron-cage-like shape that originates from the 19th band.
The estimated superconducting parameters based on the simple rigid-ion
approximation are in reasonable agreement with experiment, suggesting that the
superconductivity in MgCNi is described well by the conventional phonon
mechanism.Comment: 5 pages, 5 figure
Electronic structure of metallic antiperovskite compound GaCMn
We have investigated electronic structures of antiperovskite GaCMn and
related Mn compounds SnCMn, ZnCMn, and ZnNMn. In the paramagnetic
state of GaCMn, the Fermi surface nesting feature along the
direction is observed, which induces the antiferromagnetic (AFM) spin ordering
with the nesting vector {\bf Q} . Calculated
susceptibilities confirm the nesting scenario for GaCMn and also explain
various magnetic structures of other antiperovskite compounds. Through the band
folding effect, the AFM phase of GaCMn is stabilized. Nearly equal
densities of states at the Fermi level in the ferromagnetic and AFM phases of
GaCMn indicate that two phases are competing in the ground state.Comment: 4 pages, 5 figure
Electronic states and nature of bonding in the molecule YC by all electron ab initio multiconfiguration self-consistent-field calculations and mass spectrometric equilibrium experiments
Electronic structure of YbB: Is it a Topological Insulator or not?
To resolve the controversial issue of the topological nature of the
electronic structure of YbB, we have made a combined study using density
functional theory (DFT) and angle resolved photoemission spectroscopy (ARPES).
Accurate determination of the low energy band topology in DFT requires the use
of modified Becke-Johnson exchange potential incorporating the spin-orbit
coupling and the on-site Coulomb interaction of Yb electrons as large
as 7 eV. We have double-checked the DFT result with the more precise GW band
calculation. ARPES is done with the non-polar (110) surface termination to
avoid band bending and quantum well confinement that have confused ARPES
spectra taken on the polar (001) surface termination. Thereby we show
definitively that YbB has a topologically trivial B 2-Yb 5
semiconductor band gap, and hence is a non-Kondo non-topological insulator
(TI). In agreement with theory, ARPES shows pure divalency for Yb and a -
band gap of 0.3 eV, which clearly rules out both of the previous scenarios of
- band inversion Kondo TI and - band inversion non-Kondo TI. We
have also examined the pressure-dependent electronic structure of YbB,
and found that the high pressure phase is not a Kondo TI but a
\emph{p}-\emph{d} overlap semimetal.Comment: The main text is 6 pages with 4 figures, and the supplementary
information contains 6 figures. 11 pages, 10 figures in total To be appeared
in Phys. Rev. Lett. (Online publication is around March 16 if no delays.
TRPV1-expressing primary afferents generate behavioral responses to pruritogens via multiple mechanisms
The mechanisms that generate itch are poorly understood at both the molecular and cellular levels despite its clinical importance. To explore the peripheral neuronal mechanisms underlying itch, we assessed the behavioral responses (scratching) produced by s.c. injection of various pruritogens in PLCβ3- or TRPV1-deficient mice. We provide evidence that at least 3 different molecular pathways contribute to the transduction of itch responses to different pruritogens: 1) histamine requires the function of both PLCβ3 and the TRPV1 channel; 2) serotonin, or a selective agonist, α-methyl-serotonin (α-Me-5-HT), requires the presence of PLCβ3 but not TRPV1, and 3) endothelin-1 (ET-1) does not require either PLCβ3 or TRPV1. To determine whether the activity of these molecules is represented in a particular subpopulation of sensory neurons, we examined the behavioral consequences of selectively eliminating 2 nonoverlapping subsets of nociceptors. The genetic ablation of MrgprD^+ neurons that represent ≈90% of cutaneous nonpeptidergic neurons did not affect the scratching responses to a number of pruritogens. In contrast, chemical ablation of the central branch of TRPV1+ nociceptors led to a significant behavioral deficit for pruritogens, including α-Me-5-HT and ET-1, that is, the TRPV1-expressing nociceptor was required, whether or not TRPV1 itself was essential. Thus, TRPV1 neurons are equipped with multiple signaling mechanisms that respond to different pruritogens. Some of these require TRPV1 function; others use alternate signal transduction pathways
- …