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Electronic structure of copper antimony using Compton scattering technique
Other Title(s)
دراسة التركيب الإلكتروني لمركب Cu2Sb باستخدام تقنية استطارة كومبتون
Joint Authors
Muhammad, Samin Fadil
Ahmad, Muhammad Abd al-Karim
Ghalib, Abd al-Hadi Mardan
Source
Issue
Vol. 13, Issue 1 (31 Mar. 2016), pp.167-173, 7 p.
Publisher
University of Baghdad College of Science for Women
Publication Date
2016-03-31
Country of Publication
Iraq
No. of Pages
7
Main Subjects
Topics
Abstract EN
In this paper we present the first ever measured experimental electron momentum density of Cu2Sb at an intermediate resolution (0.6 a.u.) using 59.54 keV 241Am Compton spectrometer.
The measurements are compared with the theoretical Compton profiles using density function theory (DFT) within a linear combination of an atomic orbitals (LCAO) method.
In DFT calculation, Perdew-Burke-Ernzerhof (PBE) scheme is employed to treat correlation whereas exchange is included by following the Becke scheme.
It is seen that various approximations within LCAO-DFT show relatively better agreement with the experimental Compton data.
Ionic model calculations for a number of configurations (Cu+x/2)2(Sb-x) (0.0≤x≤2.0) are also performed utilizing free atom profiles, the ionic model suggests transfer of 2.0 electrons per Cu atom from 4s state to 5p state of Sb.
American Psychological Association (APA)
Muhammad, Samin Fadil& Ahmad, Muhammad Abd al-Karim& Ghalib, Abd al-Hadi Mardan. 2016. Electronic structure of copper antimony using Compton scattering technique. Baghdad Science Journal،Vol. 13, no. 1, pp.167-173.
https://search.emarefa.net/detail/BIM-688224
Modern Language Association (MLA)
Muhammad, Samin Fadil…[et al.]. Electronic structure of copper antimony using Compton scattering technique. Baghdad Science Journal Vol. 13, no. 1 (2016), pp.167-173.
https://search.emarefa.net/detail/BIM-688224
American Medical Association (AMA)
Muhammad, Samin Fadil& Ahmad, Muhammad Abd al-Karim& Ghalib, Abd al-Hadi Mardan. Electronic structure of copper antimony using Compton scattering technique. Baghdad Science Journal. 2016. Vol. 13, no. 1, pp.167-173.
https://search.emarefa.net/detail/BIM-688224
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 172-173
Record ID
BIM-688224