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- W2377778758 abstract "Electronic structure and total energy of Yttrium's three phases are computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA). We obtain the equation of state of hcp phase and elastic constants, bulk modulus of every phase, and these results are in good agreement with experiments' values. This method has much better improvement than other methods. We also obtain the electron populations of hcp structure and find the phase transition from hcp to fcc at pressure 40 GPa." @default.
- W2377778758 created "2016-06-24" @default.
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- W2377778758 date "2005-01-01" @default.
- W2377778758 modified "2023-09-25" @default.
- W2377778758 title "Study of Elasticity and Phase Stability of Yttrium under High Pressure" @default.
- W2377778758 hasPublicationYear "2005" @default.
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