LSDA+U approximation-based analysis of the electronic estructure of CeFeGe3

Details LSDA+U approximation-based analysis of the electronic estructure of CeFeGe3 LSDA+U approximation-based analysis of the electronic estructure of CeFeGe3

2005-02-17

arxiv.org/abs/cond-mat/0502410v1

Int. J. Modern Phys. B 20 (3), 287-301 (2006)

Physics

Condensed Matter

Strongly Correlated Electrons

12 pages 8 figures, submitted to Int. J. Modern Phys. B

Scientific paper

10.1142/S0217979206033243

We perform ab initio electronic structure calculations of the intermetallic compound CeFeGe3 by means of the Tight Binding Linear Muffin-Tin Orbitals-Atomic Sphere Approximation (TB-LMTO-ASA) within the Local Spin Density Approximation containing the so-called Hubbard correction term (LSDA+U^SIC), using the Sttutgart's TB (Tight Binding)-LMTO-ASA code in the framework of the Density Funcional Theory (DFT).

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