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 cm(2) V(-1) s(-1) at room temperature. This methodology opens the way to future searches of transparent conductors in unexpected chemical groups.

中文翻译：

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一种由全金属重元素制成的新型半霍斯勒透明孔导体的设计和发现。

透明导体结合了两个通常相互矛盾的物理特性，但是在许多应用中，两种功能都至关重要。先前的搜索集中于掺杂宽能隙金属氧化物。相反，我们专注于由化学计量为1：1：1的元素A，B和X组成的18个价电子三元ABX化合物家族，我们从理论上寻找可同时导致光学透明性同时容纳产生无补偿自由电荷的内在缺陷结构的电子结构孔。这导致人们预测一种稳定的，从未合成过的由全金属重原子化合物制成的TaIrGe化合物。然后，实验室合成发现它在预测的晶体结构和p型透明导体中稳定，并在3处具有很强的光吸收峰。36 eV和在室温下显着高的2,730 cm（2）V（-1）s（-1）的空穴迁移率。这种方法为将来在意想不到的化学基团中搜索透明导体开辟了道路。