Optical study of cubic, and orthorhombic structures of XCaCl 3 (X = K, Rb) compounds: Comparative Ab initio calculations
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DOI: 10.1016/j.ijleo.2018.03.128
Abstract: Abstract The study predicts the optical properties of cubic and orthorhombic structures of XCaCl3 (X = K, Rb) perovskite compounds through electronic band structure computation within the framework of density functional theory (DFT). The ground state functions… read more here.
Keywords: optical study; cubic orthorhombic; optical properties; study ... See more keywords
Polymorphism and melt in high-pressure tantalum. II. Orthorhombic phases
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DOI: 10.1103/physrevb.98.144107
Abstract: Continuing uncertainty in the high-pressure melt curves of bcc transition metals has spawned renewed research interest in the phase diagrams of these materials, with tantalum becoming an important prototype. The present paper extends the quantumbased… read more here.
Keywords: polymorphism melt; melt high; high pressure; orthorhombic structures ... See more keywords