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First-principles calculations of perovskite thin films

โœ Scribed by R.I. Eglitis; E. Heifets; E.A. Kotomin; J. Maier; G. Borstel


Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
205 KB
Volume
5
Category
Article
ISSN
1369-8001

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Elastic properties of cubic perovskite B
โœ De-Ming Han; Xiao-Juan Liu; Shu-Hui Lv; Hong-Ping Li; Jian Meng ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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