Positron lifetime calculation in FeCu binary alloy with lattice relaxation
Positron lifetime calculation in FeCu binary alloy with lattice relaxation
复制标题
晶格弛豫 FeCu 二元合金中的正电子寿命计算
DOI：
10.1016/s0022-3115(95)00219-7
复制
发表时间：
1996
影响因子：
3.1
通讯作者：
E. Kuramoto
中科院分区：
文献类型：
--
作者：
F. Hori;Y. Kamimura;T. Tsutsumi;E. Kuramoto
利用铁和铜的嵌入原子型多体势，实现了铁中铜杂质原子周围的晶格驰豫。模拟了FeCu合金中铜原子和铜空位复合体周围原子的稳定构型。通过在有空位和无空位的FeCu二元合金弛豫晶格中引入正电子，计算了正电子寿命。在弛豫态下，正电子寿命为119ps，而在弛豫铜-空位对中，正电子寿命为168ps。后者比单空位下的正电子寿命短，与低温下电子辐照下FeCu合金的实验寿命符合得很好。
Using the embedded atom type many body potentials for iron and copper, the lattice relaxation around copper impurity atoms in iron has been performed. The stable configuration of atoms around copper and copper vacancy complexes in FeCu alloy was simulated. By introducing a positron into the relaxed lattice of FeCu binary alloy with and without a vacancy, positron lifetimes have been calculated. The positron lifetime in a relaxed FeCu matrix was 119 ps, while in a relaxed Cu-vacancy pair it was 168 ps. The latter, which is shorter than the positron lifetime in a single vacancy, is in good agreement with the experimental lifetime observed in FeCu alloy irradiated with electrons at low temperature.