The emerging class of topological materials provides a platform to engineer exotic electronic structures for a variety of applications. As complex band structures and Fermi surfaces can directly benefit thermoelectric performance it is important to identify the role of featured topological bands in thermoelectrics particularly when there are coexisting classic regular bands. In this work, the contribution of Dirac bands to thermoelectric performance and their ability to concurrently achieve large thermopower and low resistivity in novel semimetals is investigated. By examining the YbMnSb2 nodal line semimetal as an example, the Dirac bands appear to provide a low resistivity along the direction in which they are highly dispersive. Moreover, because of the regular‐band‐provided density of states, a large Seebeck coefficient over 160 µV K−1 at 300 K is achieved in both directions, which is very high for a semimetal with high carrier concentration. The combined highly dispersive Dirac and regular bands lead to ten times increase in power factor, reaching a value of 2.1 mW m−1 K−2 at 300 K. The present work highlights the potential of such novel semimetals for unusual electronic transport properties and guides strategies towards high thermoelectric performance.
The discovery of a tenfold increase in magnetostriction of Fe by alloying nonmagnetic Ga was a breakthrough in magnetostrictive materials. The large magnetostriction is attributed to tetragonal nanoheterogeneities dispersed in the bcc matrix. A further remarkable fivefold increase is achieved by trace rare earth doping (<1 at%) up to a value of ≈1500 ppm, more than 50 times that of pure iron. However, it remains a mystery why trace rare earth dopants can induce such giant magnetostriction. Here, it is found that interaction of rare earth dopants with the nanoheterogeneities produces the giant magnetostriction, through a combination of experimental studies, firstprinciples calculation and phase field simulations. The dopants tend to enter the nanoheterogeneities, increasing their distortion thereby creating a larger tetragonal distortion of the matrix as well as increased magnetocrystalline anisotropy. A mesoscopic model is developed using phase field simulation showing that the bulk tetragonal distortion arises mainly from those nanoheterogeneities with fixed Ga-Ga pairs parallel to the applied magnetic field. Increased tetragonal distortion of the doped nanoheterogeneities leads to further distortion of the matrix. The results deepen the understanding of heterogeneous magnetostriction, and will guide the search for new magnetic materials with giant magnetostriction.
Boron solids exhibit a fascinating geometric and electronic structure. The properties of alpha-rhombohedral boron can be significantly changed by the addition of other atomic constituents. It is found that Pauling's bond valence principle plays an important role in designing boron-rich semiconductors. We have designed the novel boron-rich phases B12N2X (X = Zn, Cd, Be) with the boron carbide type structure by combining Pauling's bond valence principle with first-principles techniques. Their energy gaps, bulk moduli, microhardnesses, and total energies have been calculated. The results show that they are new superhard materials and potential semiconductors. It has been elucidated why B12N2 is metallic but B12N2Be is a semiconductor. This should open up new potential areas for predicting novel boron-rich compounds for industrial applications.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.