2,434 research outputs found
Dirac Point Degenerate with Massive Bands at a Topological Quantum Critical Point
The quasi-linear bands in the topologically trivial skutterudite insulator
CoSb are studied under adiabatic, symmetry-conserving displacement of the
Sb sublattice. In this cubic, time-reversal and inversion symmetric system, a
transition from trivial insulator to topological point Fermi surface system
occurs through a critical point in which massless (Dirac) bands are {\it
degenerate} with massive bands. Spin-orbit coupling does not alter the
character of the transition. The mineral skutterudite (CoSb) is very near
the critical point in its natural state.Comment: 5 pages, 3 figure
Linear bands, zero-momentum Weyl semimetal, and topological transition in skutterudite-structure pnictides
It was reported earlier [Phys. Rev. Lett. 106, 056401 (2011)] that the
skutterudite structure compound CoSb displays a unique band structure with
a topological transition versus a symmetry-preserving sublattice (Sb)
displacement very near the structural ground state. The transition is through a
massless Dirac-Weyl semimetal, point Fermi surface phase which is unique in
that (1) it appears in a three dimensional crystal, (2) the band critical point
occurs at =0, and (3) linear bands are degenerate with conventional
(massive) bands at the critical point (before inclusion of spin-orbit
coupling). Further interest arises because the critical point separates a
conventional (trivial) phase from a topological phase. In the native cubic
structure this is a zero-gap topological semimetal; we show how spin-orbit
coupling and uniaxial strain converts the system to a topological insulator
(TI). We also analyze the origin of the linear band in this class of materials,
which is the characteristic that makes them potentially useful in
thermoelectric applications or possibly as transparent conductors. We
characterize the formal charge as Co , consistent with the gap, with
its site symmetry, and with its lack of moment. The Sb states are
characterized as (separately, ) -bonded ring states
occupied and the corresponding antibonding states empty. The remaining
(locally) orbitals form molecular orbitals with definite parity centered
on the empty site in the skutterudite structure. Eight such orbitals must
be occupied; the one giving the linear band is an odd orbital singlet
at the zone center. We observe that the provocative linearity of the band
within the gap is a consequence of the aforementioned near-degeneracy, which is
also responsible for the small band gap.Comment: 10 pages, 7 figure
Dynamical mean field study of the Mott transition in the half-filled Hubbard model on a triangular lattice
We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC)
atomic solver to investigate the finite temperature Mott transition in the
Hubbard model with the nearest neighbor hopping on a triangular lattice at
half-filling. We estimate the value of the critical interaction to be in units of the hopping amplitude through the evolution of the
magnetic moment, spectral function, internal energy and specific heat as the
interaction and temperature are varied. This work also presents a
comparison between DMFT and finite size determinant Quantum Monte Carlo (DQMC)
and a discussion of the advantages and limitations of both methods.Comment: 7 pages, 5 figure
First Principles Study of the Electronic and Vibrational Properties of LiNbO2
In the layered transition metal oxide LiNbO the Nb () ion is
trigonal-prismatically coordinated with O ions, with the resulting crystal
field leading to a single band system for low energy properties. A
tight-binding representation shows that intraplanar second neighbor hopping
meV dominates the first neighbor interaction ( meV). The
first and third neighbor couplings are strongly modified by oxygen
displacements of the symmetric Raman-active vibrational mode, and
electron-phonon coupling to this motion may provide the coupling mechanism for
superconductivity in Li-deficient samples (where K). We calculate all
zone-center phonon modes, identify infrared (IR) and Raman active modes, and
report LO-TO splitting of the IR modes. The Born effective charges for the
metal ions are found to have considerable anisotropy reflecting the degree to
which the ions participate in interlayer coupling and covalent bonding. Insight
into the microscopic origin of the valence band density, composed of Nb
states with some mixing of O states, is obtained from examining
Wannier functions for these bands.Comment: 12 pages, 7 figures; Updated with reviewer comments; Updated
reference
Visualizing Pure Quantum Turbulence in Superfluid He: Andreev Reflection and its Spectral Properties
Superfluid He-B in the zero-temperature limit offers a unique means of
studying quantum turbulence by the Andreev reflection of quasiparticle
excitations by the vortex flow fields. We validate the experimental
visualization of turbulence in He-B by showing the relation between the
vortex-line density and the Andreev reflectance of the vortex tangle in the
first simulations of the Andreev reflectance by a realistic 3D vortex tangle,
and comparing the results with the first experimental measurements able to
probe quantum turbulence on length scales smaller than the inter-vortex
separation.Comment: 5 pages, 4 figures, and Supplemental Material (2 pages, 2 figures
Tunable 2-dimensional/3-dimensional electron gases by submonolayer La doping of SrTiO_{3}
First-principles calculation was used to study the structural and electronic
features of the low dimensional oxide structure,
SrTiO_{3}/Sr_{1-x}La_{x}TiO_{3} (x=0.25) superlattices, constructed by
submonolayer low dimensional La doping into SrTiO_{3}. We demonstrate a
dimensionality crossover from three-dimensional to two-dimensional (3D \to 2D)
electronic behavior in the system. Two types of carriers, one confined to 2D
and the other extended, exhibit distinct tunable (3D \to 2D) transport
characteristics that will enable the study of many properties (e.g.,
superconductivity) through this change in dimensionality
- …