Article citationsMore>>

Dovesi, R., Orlando, R., Civalleri, B., Roetti, C., Saunders, V.R. and Zicovich-Wilson, C.M. (2005) CRYSTAL: A computational tool for the ab-initio study of the electronic properties of crystals. Zeitschrift für Kristallographie, 220, 571. doi:10.1524/zkri.220.5.571.65065

has been cited by the following article:

• 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.