29 research outputs found
Strain tuning of topological band order in cubic semiconductors
We theoretically explore the possibility of tuning the topological order of
cubic diamond/zinc-blende semiconductors with external strain. Based on the
tight-binding model, we analyze the evolution of the cubic semiconductor band
structure under hydrostatic or biaxial lattice expansion, by which a generic
guiding principle is established that lattice \emph{expansion} can induce a
topological phase transition of small band-gap cubic semiconductors via a band
inversion, and further breaking of the cubic symmetry leads to a topological
insulating phase. Using density functional theory calculations, we demonstrate
that a prototype topological trivial semiconductor, InSb, is converted to a
nontrivial topological semiconductor with a 2%-3% biaxial lattice expansion.Comment: 4 pages, 3 figure
Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators
Using first-principles calculations within density functional theory, we
explore the feasibility of converting ternary half-Heusler compounds into a new
class of three-dimensional topological insulators (3DTI). We demonstrate that
the electronic structure of unstrained LaPtBi as a prototype system exhibits
distinct band-inversion feature. The 3DTI phase is realized by applying a
uniaxial strain along the [001] direction, which opens a bandgap while
preserving the inverted band order. A definitive proof of the strained LaPtBi
as a 3DTI is provided by directly calculating the topological Z2 invariants in
systems without inversion symmetry. We discuss the implications of the present
study to other half-Heusler compounds as 3DTI, which, together with the
magnetic and superconducting properties of these materials, may provide a rich
platform for novel quantum phenomena.Comment: 4 pages, 5 figures; Phys. Rev. Lett. (in press
Transition-metal interactions in aluminum-rich intermetallics
The extension of the first-principles generalized pseudopotential theory
(GPT) to transition-metal (TM) aluminides produces pair and many-body
interactions that allow efficient calculations of total energies. In
aluminum-rich systems treated at the pair-potential level, one practical
limitation is a transition-metal over-binding that creates an unrealistic TM-TM
attraction at short separations in the absence of balancing many-body
contributions. Even with this limitation, the GPT pair potentials have been
used effectively in total-energy calculations for Al-TM systems with TM atoms
at separations greater than 4 AA. An additional potential term may be added for
systems with shorter TM atom separations, formally folding repulsive
contributions of the three- and higher-body interactions into the pair
potentials, resulting in structure-dependent TM-TM potentials. Towards this
end, we have performed numerical ab-initio total-energy calculations using VASP
(Vienna Ab Initio Simulation Package) for an Al-Co-Ni compound in a particular
quasicrystalline approximant structure. The results allow us to fit a
short-ranged, many-body correction of the form a(r_0/r)^{b} to the GPT pair
potentials for Co-Co, Co-Ni, and Ni-Ni interactions.Comment: 18 pages, 5 figures, submitted to PR
Extreme Fermi surface smearing in a maximally disordered concentrated solid solution
We show that the Fermi surface can survive the presence of extreme compositional disorder in the equiatomic alloy Ni0.25Fe0.25Co0.25Cr0.25. Our high-resolution Compton scattering experiments reveal a Fermi surface which is smeared across a significant fraction of the Brillouin zone (up to 40% of 2π/a). The extent of this smearing and its variation on and between different sheets of the Fermi surface have been determined, and estimates of the electron mean free path and residual resistivity have been made by connecting this smearing with the coherence length of the quasiparticle states
Science Priorities for Seamounts: Research Links to Conservation and Management
Seamounts shape the topography of all ocean basins and can be hotspots of biological activity in the deep sea. The Census of Marine Life on Seamounts (CenSeam) was a field program that examined seamounts as part of the global Census of Marine Life (CoML) initiative from 2005 to 2010. CenSeam progressed seamount science by collating historical data, collecting new data, undertaking regional and global analyses of seamount biodiversity, mapping species and habitat distributions, challenging established paradigms of seamount ecology, developing new hypotheses, and documenting the impacts of human activities on seamounts. However, because of the large number of seamounts globally, much about the structure, function and connectivity of seamount ecosystems remains unexplored and unknown. Continual, and potentially increasing, threats to seamount resources from fishing and seabed mining are creating a pressing demand for research to inform conservation and management strategies. To meet this need, intensive science effort in the following areas will be needed: 1) Improved physical and biological data; of particular importance is information on seamount location, physical characteristics (e.g. habitat heterogeneity and complexity), more complete and intensive biodiversity inventories, and increased understanding of seamount connectivity and faunal dispersal; 2) New human impact data; these shall encompass better studies on the effects of human activities on seamount ecosystems, as well as monitoring long-term changes in seamount assemblages following impacts (e.g. recovery); 3) Global data repositories; there is a pressing need for more comprehensive fisheries catch and effort data, especially on the high seas, and compilation or maintenance of geological and biodiversity databases that underpin regional and global analyses; 4) Application of support tools in a data-poor environment; conservation and management will have to increasingly rely on predictive modelling techniques, critical evaluation of environmental surrogates as faunal “proxies”, and ecological risk assessment