Published in
Wiley, physica status solidi (RRL) - Rapid Research Letters, 8-9(4), p. 230-232, 2010
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Prediction of a conducting hard ductile cubic IrC
,
Lifang Xu,
Meng Wang,
Lin Cui,
Li‐Min Wang,
Julong He,
Zhongyuan Liu,
Yongjun Tian
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Abstract
Nine IrC structures were investigated using ab initio calculations based on the structures of known transition metal compounds. The calculations indicated that zinc blende structured IrC (ZB–IrC) is not only the most energetically stable, but also mechanically and dynamically stable at the ground state. Further studies showed that ZB–IrC is a conducting hard ductile material that is expected to be experimentally synthesized like cubic PtC and RuC. (© 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)