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First-principles investigation of the structural and elastic properties of Be<sub>12</sub>Ti under high pressure

RSC Advancesjournal2015en
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The effects of pressure on the structural and elastic properties of Be<sub>12</sub>Ti were investigated by the generalized gradient approximation (GGA) with a Perdew–Burke–Ernzerhof (PBE) exchange-correlation function using density-functional theory.

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