High energy Compton scattering study of TiC and TiN

被引:1
作者
Joshi, Ritu [1 ]
Bhamu, K. C. [1 ]
Dashora, Alpa [1 ]
Ahuja, B. L. [1 ]
机构
[1] ML Sukhadia Univ, Univ Coll Sci, Dept Phys, Udaipur 313001, Rajasthan, India
关键词
Compton scattering; Transition metal compounds; Density functional theory; Fermi surface; EXCHANGE-ENERGY; BAND-STRUCTURE; DENSITY; ACCURATE;
D O I
10.1016/j.apradiso.2011.02.002
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
We present the experimental Compton profiles of TiC and TiN using 661.65 keV gamma-ray from 20 Ci Cs-137 source. To explain our experimental data on momentum densities, we have computed the theoretical profiles, energy bands and density of states using linear combination of atomic orbitals scheme within the framework of density functional theory. In addition the energy bands, density of states and Fermi surfaces using full potential linearised augmented plane wave method have also been computed. Energy bands and density of states obtained from both the theoretical models show metallic character of TiC and TiN. The anisotropies in Compton line shapes and the Fermi surface topology are discussed in term of energy bands. (C) 2011 Elsevier Ltd. All rights reserved.
引用
收藏
页码:756 / 761
页数:6
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