Dirac Point Degenerate with Massive Bands at a Topological Quantum Critical Point

The quasi-linear bands in the topologically trivial skutterudite insulator CoSb$_3$ 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$_3$) 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$_3$ 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 $k$=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$^{+}$ $d^8$, consistent with the gap, with its $\bar{3}$ site symmetry, and with its lack of moment. The Sb states are characterized as $p_x$ (separately, $p_y$) $\sigma$-bonded $Sb_4$ ring states occupied and the corresponding antibonding states empty. The remaining (locally) $p_z$ orbitals form molecular orbitals with definite parity centered on the empty $2a$ site in the skutterudite structure. Eight such orbitals must be occupied; the one giving the linear band is an odd orbital singlet $A_{2u}$ 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

Electron degeneracy and intrinsic magnetic properties of epitaxial Nb:SrTiO3_3 thin-films controlled by defects

We report thermoelectric power experiments in e-doped thin films of SrTiO$_3$ (STO) which demonstrate that the electronic band degeneracy can be lifted through defect management during growth. We show that even small amounts of cationic vacancies, combined with epitaxial stress, produce a homogeneous tetragonal distortion of the films, resulting in a Kondo-like resistance upturn at low temperature, large anisotropic magnetoresistance, and non-linear Hall effect. Ab-initio calculations confirm a different occupation of each band depending on the degree of tetragonal distortion. The phenomenology reported in this paper for tetragonally distorted e-doped STO thin films, is similarto that observed in LaAlO$_3$/STO interfaces and magnetic STO quantum wells.Comment: 5 pages, 5 figure

High-J v=0 SiS Maser Emission in IRC+10216: A New Case of Infrared Overlaps

We report on the first detection of maser emission in the J=11-10, J=14-13 and J=15-14 transitions of the v=0 vibrational state of SiS toward the C-rich star IRC+10216. These masers seem to be produced in the very inhomogeneous region between the star and the inner dust formation zone, placed at 5-7 R*, with expansion velocities below 10 km/s. We interpret the pumping mechanism as due to overlaps between v=1-0 ro-vibrational lines of SiS and mid-IR lines of C2H2, HCN and their 13C isotopologues. The large number of overlaps found suggests the existence of strong masers for high-J v=0 and v=1 SiS transitions, located in the submillimeter range. In addition, it could be possible to find several rotational lines of the SiS isotopologues displaying maser emission.Comment: 4 pages, 1 figure, published in the ApJ Letter

3D Modeling of the Magnetization of Superconducting Rectangular-Based Bulks and Tape Stacks

In recent years, numerical models have become popular and powerful tools to investigate the electromagnetic behavior of superconductors. One domain where this advances are most necessary is the 3D modeling of the electromagnetic behavior of superconductors. For this purpose, a benchmark problem consisting of superconducting cube subjected to an AC magnetic field perpendicular to one of its faces has been recently defined and successfully solved. In this work, a situation more relevant for applications is investigated: a superconducting parallelepiped bulk with the magnetic field parallel to two of its faces and making an angle with the other one without and with a further constraint on the possible directions of the current. The latter constraint can be used to model the magnetization of a stack of high-temperature superconductor tapes, which are electrically insulated in one direction. For the present study three different numerical approaches are used: the Minimum Electro-Magnetic Entropy Production (MEMEP) method, the $H$-formulation of Maxwell's equations and the Volume Integral Method (VIM) for 3D eddy currents computation. The results in terms of current density profiles and energy dissipation are compared, and the differences in the two situations of unconstrained and constrained current flow are pointed out. In addition, various technical issues related to the 3D modeling of superconductors are discussed and information about the computational effort required by each model is provided. This works constitutes a concrete result of the collaborative effort taking place within the HTS numerical modeling community and will hopefully serve as a stepping stone for future joint investigations