Matsumoto Kenshi, Sato Ryota, Tatetsu Yasutomi, Takahata Ryo, Yamazoe Seiji, Yamauchi Miho, Inagaki Yuji, Horibe Yoichi, Kudo Masaki, Toriyama Takaaki, Auchi Mitsunari, Haruta Mitsutaka, Kurata Hiroki, Teranishi Toshiharu
Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto, 611-0011, Japan.
Center for Liberal Arts Education, Meio University, Biimata, Nago, Okinawa, 905-8585, Japan.
Nat Commun. 2022 Feb 24;13(1):1047. doi: 10.1038/s41467-022-28710-0.
An infinite number of crystal structures in a multicomponent alloy with a specific atomic ratio can be devised, although only thermodynamically-stable phases can be formed. Here, we experimentally show the first example of a layer-structured pseudo-binary alloy, theoretically called Z3-FePd. This Z3 structure is achieved by adding a small amount of In, which is immiscible with Fe but miscible with Pd and consists of an alternate L1 (CuAu-type)-PdFePd trilayer and Pd-In ordered alloy monolayer along the c axis. First-principles calculations strongly support that the specific inter-element miscibility of In atoms stabilizes the thermodynamically-unstable Z3-FePd phase without significantly changing the original density of states of the Z3-FePd phase. Our results demonstrate that the specific inter-element miscibility can switch stable structures and manipulate the material nature with a slight composition change.
尽管在具有特定原子比的多组分合金中，只能形成热力学稳定相，但仍可设计出无限数量的晶体结构。在此，我们通过实验展示了层状结构伪二元合金的首个实例，理论上称为Z3-FePd。这种Z3结构是通过添加少量的铟实现的，铟与铁不混溶，但与钯混溶，并且沿c轴由交替的L1（CuAu型）-PdFePd三层和Pd-In有序合金单层组成。第一性原理计算有力地支持，铟原子特定的元素间混溶性稳定了热力学不稳定的Z3-FePd相，而没有显著改变Z3-FePd相的原始态密度。我们的结果表明，特定的元素间混溶性可以通过轻微的成分变化来切换稳定结构并操控材料性质。
