4,914 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
Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields
Contrary to the well known spin qubits, rare-earth qubits are characterized
by a strong influence of crystal field due to large spin-orbit coupling. At low
temperature and in the presence of resonance microwaves, it is the magnetic
moment of the crystal-field ground-state which nutates (for several s) and
the Rabi frequency is anisotropic. Here, we present a study of the
variations of with the magnitude and direction of the
static magnetic field for the odd Er isotope in a single
crystal CaWO:Er. The hyperfine interactions split the
curve into eight different curves which are fitted
numerically and described analytically. These "spin-orbit qubits" should allow
detailed studies of decoherence mechanisms which become relevant at high
temperature and open new ways for qubit addressing using properly oriented
magnetic fields
Electronic structures of ZnCoO using photoemission and x-ray absorption spectroscopy
Electronic structures of ZnCoO have been investigated using
photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). The
Co 3d states are found to lie near the top of the O valence band, with a
peak around eV binding energy. The Co XAS spectrum provides
evidence that the Co ions in ZnCoO are in the divalent Co
() states under the tetrahedral symmetry. Our finding indicates that the
properly substituted Co ions for Zn sites will not produce the diluted
ferromagnetic semiconductor property.Comment: 3 pages, 2 figure
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.
Influence of compressing pressure on macro void formation of carbon monolith for methane adsorption
Carbon monoliths for adsorbed natural gas (ANG) storage were prepared from Mongolian anthracite-based activated carbons using carboxy-methyl cellulose as a binder under different compressing pressures. Nitrogen adsorption/desorption experiments were carried out to obtain the specific surface area, pore volume, and pore size distribution of the monoliths. Methane adsorption experiments on the carbon monoliths were conducted at different temperatures and pressures up to around 3.5 MPa in a high pressure volumetric adsorption apparatus. As expected, adsorption results indicated that the methane adsorption capacity of the carbon monoliths increased with increasing specific surface area and packing density. The maximum volumetric adsorption of methane was observed as 163 V/V at 293 K and 3.5 MPa on a carbon monolith sample, PMAC1/2-3-65, that does not have the highest specific surface area but relatively high packing density comparing with other monoliths, which implies that two physical properties contribute contradictorily to the methane adsorption capacity. Based on experimental results, the carbon monoliths prepared from Mongolian anthracite-based activated carbons can be promising media for ANG storage application
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