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Investigation of electronic structure of Nd<sub>2</sub>O<sub>3</sub>: Experiment and theory

Investigation of electronic structure of Nd<sub>2</sub>O<sub>3</sub>: Experiment and theory
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摘要 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. 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.
出处 《Natural Science》 2012年第10期797-802,共6页 自然科学期刊(英文)
关键词 Electronic Structure Nd2O3: Density Functional Theory Gamma RAY FERMI Level Electronic Structure Nd2O3: Density Functional Theory Gamma Ray Fermi Level
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