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- W2808422643 abstract "Ternary equiatomic ABX compounds constitute a fascinating group of materials, and manifesting extraordinary functionalities. Surprisingly, many of these compounds are still 'missing' materials, i.e. no record of them in the existing databases. There have been prior attempts to predict the properties of ABX compounds in assumed crystal structures. However, the stability of the assumed crystal structure was generally not examined. The fact that newly discovered materials that have escaped synthesis tend to have interesting properties, makes the proposition of prediction and realization of 'Missing Materials' attractive. Here, we use first-principles thermodynamics and laboratory realization to show that TaIrGe is a stable new compound with the 'Filled Tetrahedral Structure' having interband transitions (1.74, 2.64 and 3.1 eV) and manifest intrinsic p-type behavior and high hole mobility (2730 cm2/Vs), thus being one of the rare occurrences of a 'transparent hole conductor'. This work suggests that theory-driven design can accelerate discovery of new materials." @default.
- W2808422643 created "2018-06-21" @default.
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- W2808422643 date "2014-06-03" @default.
- W2808422643 modified "2023-09-27" @default.
- W2808422643 title "Design of TaIrGe: a ternary half-Heusler transparent hole conductor" @default.
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