Paper Title:
First-Principles Study of Structural and Electronic Property of Pyrochlore Dy2Sn2O7
  Abstract

Density Functional Theory method within Generalized Gradient Approximation has been performed to obtain the static lattice parameters, oxygen positional parameter, bond length and bond angle and electronic properties of ideal Dy2Sn2O7 pyrochlore. The results are in excellent agreement with available experimental measurements. DOS of this compound was presented and analyzed. We also notice the presence of the hybridization between oxygen and both Sn and Dy metal.

  Info
Periodical
Advanced Materials Research (Volumes 26-28)
Edited by
Young Won Chang, Nack J. Kim and Chong Soo Lee
Pages
933-936
DOI
10.4028/www.scientific.net/AMR.26-28.933
Citation
Z. J. Chen, X. T. Zu, X.Q. Wang, "First-Principles Study of Structural and Electronic Property of Pyrochlore Dy2Sn2O7", Advanced Materials Research, Vols. 26-28, pp. 933-936, 2007
Online since
October 2007
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