Arpun R. Nagaraja

TL;DR: Experimental synthesis of TaCoSn, the first ternary in the Ta-Co-Sn system, confirmed its predicted zincblende-derived crystal structure and demonstrated how discovery of new materials can be accelerated by the combination of high-throughput theoretical and experimental methods.

TL;DR: The search theoretically for electronic structures that simultaneously lead to optical transparency while accommodating intrinsic defect structures that produce uncompensated free holes leads to the prediction of a stable, never before synthesized TaIrGe compound made of all-metal heavy atom compound.

TL;DR: In this paper, an inverse design approach is formulated to accelerate the design and discovery of novel functional materials, such as p-type transparent conducting oxides, by articulating the target properties and selecting an initial pool of candidates based on design principles.

TL;DR: In this paper, the authors discuss the traditional vs. new methodologies of determining the type of conduction mechanism at play, namely localized polaronic vs. band-like transport.

TL;DR: In this article, the authors present experimental evidence on two prototype spinels for each major doping type (DT1 and DT4) that test the first-principle calculations and show that the anti-site defects in a stoichiometric film are equal in concentration and compenstate each other.