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

Abstract

ABSTRACT

Electronic properties of EuO and Eu2O3: FP-LAPW and LCAO computations and Compton spectroscopy strategies

“…We also feel that an inclusion of the Gaussian basis sets for Eu-4f electrons may also lead to better results. In figure 6(a), we have plotted the absolute experimental CPs of present Eu 2 O 3 along with the available data on CPs of Nd 2 O 3 [37], Sm 2 O 3 [34], Er 2 O 3 [35] and Yb 2 O 3 [35]. Going beyond momentum space analysis of Compton profiles, one can also analyze the J(p z ) in terms of Fourier transformed real space function so called B(z) as defined in equation (5).…”

“…Figure 6. (a) Absolute experimental CPs Nd 2 O 3[37], Sm 2 O 3[34], Er 2 O 3[35], Yb 2 O 3[35] and present Eu 2 O 3 , normalized to their respective FA areas and (b) CPs shown in section (a) normalized to similar FA area of Eu 2 O 3 (59.75 e − ) in the momentum range 0-7 a.u. (c) Elemental (rare-Earth) free atom Hartree-Fock CPs for f-electrons taken from the tables of Biggs et al[32].…”