摘要
从第一性原理和二分量密度泛函理论出发．应用离散变办法和嵌入集团模型完全自洽地计算了不同相状态的铁单空位的正电子湮没特性．同时讨论了晶格膨胀和晶格弛豫对正电子湮没特性的影响。
The positron annihilation characteristics of vacancies in iron in different phases have been calculated by using the discrete variational method and embedded-cluster model based on the first-principle and two-component density-functional theory.The effect of lattice-expansion and lattice-relaxation on the positron annihilation characteristics is discussed.
出处
《核技术》
CAS
CSCD
北大核心
1994年第10期605-607,共3页
Nuclear Techniques
基金
国家自然科学基金
关键词
铁
空位
正电子湮灭
Positron annihilation,Two-component density-functional theory,Iron, Vacancies
