Electronic structure of hafnium: A Compton profile study

被引：1
|
作者：
Khera, S. [1 ]
Mathur, S. [1 ]
Ahuja, B. L. [1 ]
机构：
[1] ML Sukhadia Univ, Univ Coll Sci, Dept Phys, Udaipur 313001, India
来源：
PRAMANA-JOURNAL OF PHYSICS | 2007年 / 68卷 / 01期
关键词：
Compton scattering; electron momentum density; pseudopotential calculations;
D O I：
10.1007/s12043-007-0010-z
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
In this paper, we report the first-ever isotropic Compton profile of hafnium measured at an intermediate resolution, with 661.65 keV gamma-radiation. To compare our experimental data, the theoretical computations have also been carried out within the framework of pseudopotential using CRYSTAL03 code and the renormalized-free-atom (RFA) model. It is found that the present experimental profile is in better agreement with the RFA calculations if the outer electronic configuration is chosen as 5d(3.2)6s(0.8). The cohesive energy of Hf is also deduced from the experimental data and is compared with the available data.
引用
收藏
页码：91 / 98
页数：8
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