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Elastic properties of cubic, tetragonal and monoclinic ZrO2 from first-principles calculations

โœ Scribed by Xu-Shan Zhao; Shun-Li Shang; Zi-Kui Liu; Jian-Yun Shen

Book ID
108187144
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
231 KB
Volume
415
Category
Article
ISSN
0022-3115

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Elastic properties of cubic perovskite B
Elastic properties of cubic perovskite BaRuO3 from first-principles calculations
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