Design and discovery of a novel half-Heusler transparent hole conductor made of all-metallic heavy elements

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dc.contributor.author Yan, Feng
dc.contributor.author Zhang, Xiuwen
dc.contributor.author Yu, Yonggang G.
dc.contributor.author Yu, Liping
dc.contributor.author Nagaraja, Arpun
dc.contributor.author Mason, Thomas O.
dc.contributor.author Zunger, Alex
dc.date.accessioned 2018-10-18T21:51:50Z
dc.date.available 2018-10-18T21:51:50Z
dc.date.issued 2015-06-24
dc.identifier.citation Yan, F., et al. (2015): Design and discovery of a novel half-Heusler transparent hole conductor made of all-metallic heavy elements. Nature Communications, 6 (7308). DOI: 10.1038/ncomms8308 en_US
dc.identifier.uri http://ir.ua.edu/handle/123456789/4050
dc.description.abstract Transparent conductors combine two generally contradictory physical properties, but there are numerous applications where both functionalities are crucial. Previous searches focused on doping wide-gap metal oxides. Focusing instead on the family of 18 valence electron ternary ABX compounds that consist of elements A, B and X in 1:1:1 stoichiometry, we search theoretically for electronic structures that simultaneously lead to optical transparency while accommodating intrinsic defect structures that produce uncompensated free holes. This leads to the prediction of a stable, never before synthesized TaIrGe compound made of all-metal heavy atom compound. Laboratory synthesis then found it to be stable in the predicted crystal structure and p-type transparent conductor with a strong optical absorption peak at 3.36 eV and remarkably high hole mobility of 2,730 cm2V - 1 s - 1 at room temperature. This methodology opens the way to future searches of transparent conductors in unexpected chemical groups. en_US
dc.format.mimetype application/pdf en_US
dc.subject design, synthesis and processing en_US
dc.subject inorganic chemistry en_US
dc.title Design and discovery of a novel half-Heusler transparent hole conductor made of all-metallic heavy elements en_US
dc.type text en_US


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