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Compton profile study of tin
Author(s) -
Ahuja B. L.,
Khera S.,
Mathur S.,
Heda N. L.
Publication year - 2006
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200541189
Subject(s) - tin , linear combination of atomic orbitals , pseudopotential , atomic orbital , physics , atomic physics , materials science , nuclear physics , metallurgy , electron
In this paper we report the Compton profile of β‐tin, measured at an intermediate resolution, using 661.65‐keV γ‐radiation from a 137 Cs source. We have also computed the Compton profiles for α‐ and β‐tin using the CRYSTAL03 code. The Compton profiles within the framework of linear combination of atomic orbitals (LCAO) using Hartree–Fock (HF), density functional (DF) and pseudopotential‐HF schemes embodied in the CRYSTAL03 code have been reported for both phases. Good accordance of the experiment for β‐tin with the corresponding theoretical profiles has been observed for the LCAO‐HF and DF schemes. A real‐space analysis of the experimental Compton profile shows the metal‐like behavior of β‐tin. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)