Electronic Structure Calculations of Hexaborides and Boron Carbide-Reference-Cited by-同舟云学术

Electronic Structure Calculations of Hexaborides and Boron Carbide

Published:1997-10 Issue:1 Volume:133 Page:51-54
ISSN:0022-4596
Container-title:Journal of Solid State Chemistry
language:en
Short-container-title:Journal of Solid State Chemistry

Author:

Ripplinger H.,Schwarz K.,Blaha P.

Publisher

Elsevier BV

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry,Condensed Matter Physics,Ceramics and Composites,Electronic, Optical and Magnetic Materials

Reference13 articles.

1. The nature of the chemical bonding in boron carbide, B13C2. I. Structure refinement

2. Planewaves, Pseudopotentials and the LAPW Method;Singh,1994

3. P. Blaha, K. Schwarz, P. Dufek, R. Augustyn, 1995, WIEN95, Technical University of Vienna

4. Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN

5. First-Principles Calculation of the Electric Field Gradient ofLi3N

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