Elastic properties of cubic perovskite B
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De-Ming Han; Xiao-Juan Liu; Shu-Hui Lv; Hong-Ping Li; Jian Meng
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Article
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2010
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Elsevier Science
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English
โ 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