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A series of full-Heusler alloys, $rm Fe_2V_{1-x}W_xAl$, $0 leq x leq 0.2$, was prepared, characterized and relevant physical properties to account for the thermoelectric performance were studied in a wide temperature range. Additionally, off-stoichiometric samples with similar compositions have been included, and a 10~% improvement of the thermoelectric figure of merit was obtained. The V/W substitution causes i) a change of the main carrier type, from holes to electrons as evidenced from Seebeck and Hall measurements and ii) a substantial reduction of the lattice thermal conductivity due to a creation of lattice disorder by means of a distinct different mass and metallic radius upon the V/W substitution. Moreover $ZT$ values above 0.2 have been obtained. A microscopic understanding of the experimental data observed is revealed from ab-initio calculations of the electronic and phononic structure.
LaVO$_3$ (LVO) has been proposed as a promising material for photovoltaics because its strongly correlated textit{d} electrons can facilitate the creation of multiple electron-hole pairs per incoming photon, which would lead to increased device effic
We report first-principles density-functional study of electron-phonon interactions and thermoelectric transport properties of full-Heusler compounds Sr$_{2}$BiAu and Sr$_{2}$SbAu. Our results show that ultrahigh intrinsic bulk thermoelectric perform
In this work, we studied the pathways for formation of stoichiometric tcn~thin films. Polycrystalline and epitaxial tcn~films were prepared using reactive direct current magnetron (dcMS) sputtering technique. A systematic variation in the substrate t
Complex oxide heterostructures display some of the most chemically abrupt, atomically precise interfaces, which is advantageous when constructing new interface phases with emergent properties by juxtaposing incompatible ground states. One might assum
The recently introduced theories of Topological Quantum Chemistry and Symmetry-Based Indicators (SIs) have facilitated the discovery of novel topological phases of matter and large-scale searches for materials with experimentally accessible topologic