TITLE:
Investigation of electronic structure of Nd2O3: Experiment and theory
AUTHORS:
Fareed Majeed Mohammad, Abdulhadi Mirdan Ghaleb, Sahariya Jagrati, Babu Lal Ahuja, Kailash Chandra Bhamu
KEYWORDS:
Electronic Structure; Nd2O3:; Density Functional Theory; Gamma Ray; Fermi Level
JOURNAL NAME:
Natural Science,
Vol.4 No.10,
October
31,
2012
ABSTRACT: In the present paper, first ever experimental Compton profile of Nd2O3 have been measured using 137Cs Compton spectrometer at an intermediate resolution of 0.34 a.u. Theoretical profile are computed using PP-DFT-GGA, PP-DFT- LDA and PP-DFT-SOGGA within the frame work of LCAO scheme in, and are compared with experimental results. Theoretical anisotropies in directional Compton profiles are explained in term of degenerate states along the Fermi level.