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Ferrous iron in post-perovskite from first-principles calculations

✍ Scribed by Razvan Caracas; R.E. Cohen


Book ID
116829995
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
803 KB
Volume
168
Category
Article
ISSN
0031-9201

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Elastic properties of cubic perovskite B
✍ De-Ming Han; Xiao-Juan Liu; Shu-Hui Lv; Hong-Ping Li; Jian Meng πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 198 KB

We present first-principles investigations on the structural and elastic properties of the cubic perovskite BaRuO 3 using density-functional theory within both local density approximation (LDA) and generalized gradient approximation (GGA). Basic physical properties, such as lattice constant, shear m