Strain engineering is a more effective and green method to achieve the nonmetal-to-metal transition than metal doping. The elastic strain field can effectively change the atomic orbital interaction, achieving the metallization of materials. Taking IrAs₃ as a prototype, the strain–stress behaviors of binary skutterudite are investigated. A reversible semiconductor-to-metal (SM) transition can be easily achieved by only an ∼9% strain. The strain-induced Jahn–Teller effect of IrAs₆ octahedra and the breakage of As₄-rings dominate the metallization. Unexpectedly, the metal element Ir in IrAs₃ becomes an electron acceptor due to its higher electronegativity and the effect of the octahedral field.

中文翻译：

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应变工程可以实现方钴矿IrAs3的可逆半导体-金属过渡

应变工程是一种比金属掺杂更有效和绿色的方法，可以实现非金属到金属的过渡。弹性应变场可以有效改变原子轨道相互作用，实现材料的金属化。以IrAs ₃为原型，研究了二元方钴矿的应变-应力行为。仅约9％的应变即可轻松实现可逆的半导体到金属（SM）的转变。应变诱导的IrAs ₆八面体的Jahn-Teller效应和As ₄环的断裂主导了金属化。出乎意料的是，IrAs _3中的金属元素Ir由于其较高的电负性和八面体场的作用而成为电子受体。